23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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

C60H36N4 — CID 171044158

IUPAC23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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(-c2ccc3c(-c4ccccc4)nc(-n4c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cc6c7ccccc7c7c8ccccc8cc4c7c65)nc3c2)cc1
InChIInChI=1S/C60H36N4/c1-4-17-37(18-5-1)39-31-32-49-51(34-39)61-60(62-58(49)38-19-6-2-7-20-38)64-53-36-41(44-28-16-29-48-46-26-14-15-30-52(46)63(59(44)48)42-22-8-3-9-23-42)33-50-45-25-12-13-27-47(45)55-43-24-11-10-21-40(43)35-54(64)57(55)56(50)53/h1-36H
InChIKeyFQSNXXLLGXXNHC-UHFFFAOYSA-N
MW812.98 g/mol
LogP15.72
Rot. Bonds5

About 23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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

23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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 171044158) has the molecular formula C60H36N4 and a molecular weight of 812.98 g/mol. Its IUPAC name is 23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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 Name23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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 CID171044158
Molecular FormulaC60H36N4
Molecular Weight812.98 g/mol
Exact Mass812.29
IUPAC Name23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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(-c2ccc3c(-c4ccccc4)nc(-n4c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cc6c7ccccc7c7c8ccccc8cc4c7c65)nc3c2)cc1
InChIInChI=1S/C60H36N4/c1-4-17-37(18-5-1)39-31-32-49-51(34-39)61-60(62-58(49)38-19-6-2-7-20-38)64-53-36-41(44-28-16-29-48-46-26-14-15-30-52(46)63(59(44)48)42-22-8-3-9-23-42)33-50-45-25-12-13-27-47(45)55-43-24-11-10-21-40(43)35-54(64)57(55)56(50)53/h1-36H
InChIKeyFQSNXXLLGXXNHC-UHFFFAOYSA-N
XLogP15.72
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.98
LogP ≤ 515.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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

6-phenyl-23-(4-phenylquinazolin-2-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene
CID 171044213
26-(4,7-diphenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 158224203
9-(4,6-diphenylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,7-diphenylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenylquinazolin-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,7-diphenylquinazolin-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 157258726
14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene
CID 163739148
18-[4-(4-phenylphenyl)quinazolin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene
CID 164845764
23-phenyl-12-(3-phenylquinoxalin-2-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 171044000
6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167209938
5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361644
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134369954
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
18-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 138475063

Frequently Asked Questions

What is the IUPAC name of 23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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 23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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 171044158) is 23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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 23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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 23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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(-c2ccc3c(-c4ccccc4)nc(-n4c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cc6c7ccccc7c7c8ccccc8cc4c7c65)nc3c2)cc1.
What is the InChIKey of 23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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 FQSNXXLLGXXNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4/c1-4-17-37(18-5-1)39-31-32-49-51(34-39)61-60(62-58(49)38-19-6-2-7-20-38)64-53-36-41(44-28-16-29-48-46-26-14-15-30-52(46)63(59(44)48)42-22-8-3-9-23-42)33-50-45-25-12-13-27-47(45)55-43-24-11-10-21-40(43)35-54(64)57(55)56(50)53/h1-36H.
What are the key properties of 23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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?
23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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 812.98 g/mol, XLogP of 15.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(4,7-diphenylquinazolin-2-yl)-18-(9-phenylcarbazol-1-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 171044158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).