2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene

C229H136N16OS — CID 163785773

IUPAC2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene
SMILESCC1(C)c2ccccc2-c2nc(-n3c4cc5ccccc5cc4c4c5c6ccccc6c6ccccc6c5ccc43)c(-c3cccc4c3c3ccccc3n4-c3ccccc3)nc21.c1ccc(-n2c3ccccc3c3c(-c4nc5ccc6ccccc6c5nc4-n4c5cc6ccccc6cc5c5c6c7ccccc7c7ccccc7c6ccc54)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4nc5oc6ccccc6c5nc4-n4c5cc6ccccc6cc5c5c6c7ccccc7c7ccccc7c6ccc54)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4nc5sc6ccccc6c5nc4-n4c5cc6ccccc6cc5c5c6c7ccccc7c7ccccc7c6ccc54)cccc32)cc1
InChIInChI=1S/C59H38N4.C58H34N4.C56H32N4O.C56H32N4S/c1-59(2)47-28-14-12-25-43(47)55-57(59)60-56(45-27-16-30-49-52(45)44-26-13-15-29-48(44)62(49)37-19-4-3-5-20-37)58(61-55)63-50-32-31-42-40-23-9-8-21-38(40)39-22-10-11-24-41(39)53(42)54(50)46-33-35-17-6-7-18-36(35)34-51(46)63;1-2-18-38(19-3-1)61-49-27-13-12-25-45(49)53-46(26-14-28-50(53)61)57-58(60-56-39-20-7-6-15-35(39)29-31-48(56)59-57)62-51-32-30-44-42-23-9-8-21-40(42)41-22-10-11-24-43(41)54(44)55(51)47-33-36-16-4-5-17-37(36)34-52(47)62;2*1-2-17-35(18-3-1)59-45-26-12-10-23-41(45)50-43(25-14-27-46(50)59)53-55(57-54-42-24-11-13-28-49(42)61-56(54)58-53)60-47-30-29-40-38-21-7-6-19-36(38)37-20-8-9-22-39(37)51(40)52(47)44-31-33-15-4-5-16-34(33)32-48(44)60/h3-34H,1-2H3;1-34H;2*1-32H
InChIKeyMSJRRIMSTSLLDI-UHFFFAOYSA-N
MW3159.78 g/mol
LogP60.68
Rot. Bonds12

About 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene

2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene (PubChem CID 163785773) has the molecular formula C229H136N16OS and a molecular weight of 3159.78 g/mol. Its IUPAC name is 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene.

Molecular Properties

Compound Name2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene
PubChem CID163785773
Molecular FormulaC229H136N16OS
Molecular Weight3159.78 g/mol
Exact Mass3157.08
IUPAC Name2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene
SMILESCC1(C)c2ccccc2-c2nc(-n3c4cc5ccccc5cc4c4c5c6ccccc6c6ccccc6c5ccc43)c(-c3cccc4c3c3ccccc3n4-c3ccccc3)nc21.c1ccc(-n2c3ccccc3c3c(-c4nc5ccc6ccccc6c5nc4-n4c5cc6ccccc6cc5c5c6c7ccccc7c7ccccc7c6ccc54)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4nc5oc6ccccc6c5nc4-n4c5cc6ccccc6cc5c5c6c7ccccc7c7ccccc7c6ccc54)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4nc5sc6ccccc6c5nc4-n4c5cc6ccccc6cc5c5c6c7ccccc7c7ccccc7c6ccc54)cccc32)cc1
InChIInChI=1S/C59H38N4.C58H34N4.C56H32N4O.C56H32N4S/c1-59(2)47-28-14-12-25-43(47)55-57(59)60-56(45-27-16-30-49-52(45)44-26-13-15-29-48(44)62(49)37-19-4-3-5-20-37)58(61-55)63-50-32-31-42-40-23-9-8-21-38(40)39-22-10-11-24-41(39)53(42)54(50)46-33-35-17-6-7-18-36(35)34-51(46)63;1-2-18-38(19-3-1)61-49-27-13-12-25-45(49)53-46(26-14-28-50(53)61)57-58(60-56-39-20-7-6-15-35(39)29-31-48(56)59-57)62-51-32-30-44-42-23-9-8-21-40(42)41-22-10-11-24-43(41)54(44)55(51)47-33-36-16-4-5-17-37(36)34-52(47)62;2*1-2-17-35(18-3-1)59-45-26-12-10-23-41(45)50-43(25-14-27-46(50)59)53-55(57-54-42-24-11-13-28-49(42)61-56(54)58-53)60-47-30-29-40-38-21-7-6-19-36(38)37-20-8-9-22-39(37)51(40)52(47)44-31-33-15-4-5-16-34(33)32-48(44)60/h3-34H,1-2H3;1-34H;2*1-32H
InChIKeyMSJRRIMSTSLLDI-UHFFFAOYSA-N
XLogP60.68
TPSA155.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms247
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003159.78
LogP ≤ 560.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene?
The IUPAC name of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene (CID 163785773) is 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene.
What is the SMILES notation for 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene?
The canonical SMILES for 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene is CC1(C)c2ccccc2-c2nc(-n3c4cc5ccccc5cc4c4c5c6ccccc6c6ccccc6c5ccc43)c(-c3cccc4c3c3ccccc3n4-c3ccccc3)nc21.c1ccc(-n2c3ccccc3c3c(-c4nc5ccc6ccccc6c5nc4-n4c5cc6ccccc6cc5c5c6c7ccccc7c7ccccc7c6ccc54)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4nc5oc6ccccc6c5nc4-n4c5cc6ccccc6cc5c5c6c7ccccc7c7ccccc7c6ccc54)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4nc5sc6ccccc6c5nc4-n4c5cc6ccccc6cc5c5c6c7ccccc7c7ccccc7c6ccc54)cccc32)cc1.
What is the InChIKey of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene?
The InChIKey is MSJRRIMSTSLLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4.C58H34N4.C56H32N4O.C56H32N4S/c1-59(2)47-28-14-12-25-43(47)55-57(59)60-56(45-27-16-30-49-52(45)44-26-13-15-29-48(44)62(49)37-19-4-3-5-20-37)58(61-55)63-50-32-31-42-40-23-9-8-21-38(40)39-22-10-11-24-41(39)53(42)54(50)46-33-35-17-6-7-18-36(35)34-51(46)63;1-2-18-38(19-3-1)61-49-27-13-12-25-45(49)53-46(26-14-28-50(53)61)57-58(60-56-39-20-7-6-15-35(39)29-31-48(56)59-57)62-51-32-30-44-42-23-9-8-21-40(42)41-22-10-11-24-43(41)54(44)55(51)47-33-36-16-4-5-17-37(36)34-52(47)62;2*1-2-17-35(18-3-1)59-45-26-12-10-23-41(45)50-43(25-14-27-46(50)59)53-55(57-54-42-24-11-13-28-49(42)61-56(54)58-53)60-47-30-29-40-38-21-7-6-19-36(38)37-20-8-9-22-39(37)51(40)52(47)44-31-33-15-4-5-16-34(33)32-48(44)60/h3-34H,1-2H3;1-34H;2*1-32H.
What are the key properties of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene?
2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene has a molecular weight of 3159.78 g/mol, XLogP of 60.68, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[3-(9-phenylcarbazol-4-yl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 163785773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).