19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene

C58H35N3 — CID 171044194

IUPAC19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6c6c7ccccc7cc7c6c5c4n7-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C58H35N3/c1-3-16-38(17-4-1)59-50-25-13-11-22-44(50)48-33-37(27-31-52(48)59)42-29-30-47-43-21-9-10-24-46(43)55-41-20-8-7-15-36(41)34-54-57(55)56(47)58(42)61(54)40-28-32-53-49(35-40)45-23-12-14-26-51(45)60(53)39-18-5-2-6-19-39/h1-35H
InChIKeyDESRBZMQOQHKEU-UHFFFAOYSA-N
MW773.94 g/mol
LogP15.54
Rot. Bonds4

About 19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene

19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene (PubChem CID 171044194) has the molecular formula C58H35N3 and a molecular weight of 773.94 g/mol. Its IUPAC name is 19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene.

Molecular Properties

Compound Name19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene
PubChem CID171044194
Molecular FormulaC58H35N3
Molecular Weight773.94 g/mol
Exact Mass773.28
IUPAC Name19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6c6c7ccccc7cc7c6c5c4n7-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C58H35N3/c1-3-16-38(17-4-1)59-50-25-13-11-22-44(50)48-33-37(27-31-52(48)59)42-29-30-47-43-21-9-10-24-46(43)55-41-20-8-7-15-36(41)34-54-57(55)56(47)58(42)61(54)40-28-32-53-49(35-40)45-23-12-14-26-51(45)60(53)39-18-5-2-6-19-39/h1-35H
InChIKeyDESRBZMQOQHKEU-UHFFFAOYSA-N
XLogP15.54
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.94
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene with MolForge

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Related Compounds

21-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylcarbazol-3-yl)-3-azaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24,26,28-tetradecaene
CID 138726869
9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 121246572
2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
CID 146270951
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518
3-[9-(3-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(3-triphenylen-2-ylphenyl)carbazole
CID 158289960
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158681478
3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole
CID 87171359
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552522
1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
CID 134598241

Frequently Asked Questions

What is the IUPAC name of 19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene?
The IUPAC name of 19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene (CID 171044194) is 19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene.
What is the SMILES notation for 19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene?
The canonical SMILES for 19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6c6c7ccccc7cc7c6c5c4n7-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene?
The InChIKey is DESRBZMQOQHKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3/c1-3-16-38(17-4-1)59-50-25-13-11-22-44(50)48-33-37(27-31-52(48)59)42-29-30-47-43-21-9-10-24-46(43)55-41-20-8-7-15-36(41)34-54-57(55)56(47)58(42)61(54)40-28-32-53-49(35-40)45-23-12-14-26-51(45)60(53)39-18-5-2-6-19-39/h1-35H.
What are the key properties of 19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene?
19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene has a molecular weight of 773.94 g/mol, XLogP of 15.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19,23-bis(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene is sourced from PubChem (CID 171044194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).