21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene

C146H83N13 — CID 161450697

About 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene

21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene (PubChem CID 161450697) has the molecular formula C146H83N13 and a molecular weight of 2019.36 g/mol. Its IUPAC name is 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene
• PubChem CID: 161450697
• Molecular Formula: C146H83N13
• Molecular Weight: 2019.36 g/mol
• Exact Mass: 2017.69
• IUPAC Name: 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n7c8ccccc8c(c54)c67)nc4ccccc34)cc2)cc1.c1ccc2c(c1)cc(-c1nc(-n3c4ccccc4c4cc5c6c7ccccc7ccc6n6c7ccccc7c(c43)c56)nc3ccccc13)c1ccccc12.c1ccc2c(c1)ccc1c2c2cc3c4ccccc4n(-c4nc(-n5c6ccccc6c6ccccc65)c5ccccc5n4)c3c3c4ccccc4n1c23
• InChI: InChI=1S/C50H28N4.C48H27N5.C48H28N4/c1-4-16-32-29(13-1)25-26-44-45(32)40-28-39-35-19-8-11-23-42(35)54(48(39)46-37-21-9-12-24-43(37)53(44)49(40)46)50-51-41-22-10-7-20-36(41)47(52-50)38-27-30-14-2-3-15-31(30)33-17-5-6-18-34(33)38;1-2-14-29-28(13-1)25-26-42-43(29)36-27-35-32-17-6-11-23-40(32)53(45(35)44-34-19-7-12-24-41(34)51(42)46(36)44)48-49-37-20-8-3-18-33(37)47(50-48)52-38-21-9-4-15-30(38)31-16-5-10-22-39(31)52;1-2-12-29(13-3-1)30-22-24-32(25-23-30)45-35-17-6-9-19-39(35)49-48(50-45)52-40-20-10-7-16-34(40)37-28-38-43-33-15-5-4-14-31(33)26-27-42(43)51-41-21-11-8-18-36(41)44(46(37)52)47(38)51/h1-28H;1-27H;1-28H
• InChIKey: WAMKEZNFKFIVHL-UHFFFAOYSA-N
• XLogP: 37.50
• TPSA: 110.29 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2019.36
LogP ≤ 5	37.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene?

The IUPAC name of 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene (CID 161450697) is 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene.

What is the SMILES notation for 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene?

The canonical SMILES for 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n7c8ccccc8c(c54)c67)nc4ccccc34)cc2)cc1.c1ccc2c(c1)cc(-c1nc(-n3c4ccccc4c4cc5c6c7ccccc7ccc6n6c7ccccc7c(c43)c56)nc3ccccc13)c1ccccc12.c1ccc2c(c1)ccc1c2c2cc3c4ccccc4n(-c4nc(-n5c6ccccc6c6ccccc65)c5ccccc5n4)c3c3c4ccccc4n1c23.

What is the InChIKey of 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene?

The InChIKey is WAMKEZNFKFIVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4.C48H27N5.C48H28N4/c1-4-16-32-29(13-1)25-26-44-45(32)40-28-39-35-19-8-11-23-42(35)54(48(39)46-37-21-9-12-24-43(37)53(44)49(40)46)50-51-41-22-10-7-20-36(41)47(52-50)38-27-30-14-2-3-15-31(30)33-17-5-6-18-34(33)38;1-2-14-29-28(13-1)25-26-42-43(29)36-27-35-32-17-6-11-23-40(32)53(45(35)44-34-19-7-12-24-41(34)51(42)46(36)44)48-49-37-20-8-3-18-33(37)47(50-48)52-38-21-9-4-15-30(38)31-16-5-10-22-39(31)52;1-2-12-29(13-3-1)30-22-24-32(25-23-30)45-35-17-6-9-19-39(35)49-48(50-45)52-40-20-10-7-16-34(40)37-28-38-43-33-15-5-4-14-31(33)26-27-42(43)51-41-21-11-8-18-36(41)44(46(37)52)47(38)51/h1-28H;1-27H;1-28H.

What are the key properties of 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene?

21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene has a molecular weight of 2019.36 g/mol, XLogP of 37.50, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene is sourced from PubChem (CID 161450697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).