12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene

C184H112N16 — CID 161237052

About 12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene

12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene (PubChem CID 161237052) has the molecular formula C184H112N16 and a molecular weight of 2547.03 g/mol. Its IUPAC name is 12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene.

Molecular Properties

• Compound Name: 12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
• PubChem CID: 161237052
• Molecular Formula: C184H112N16
• Molecular Weight: 2547.03 g/mol
• Exact Mass: 2544.93
• IUPAC Name: 12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
• SMILES: c1ccc(-c2nc(-c3cccc4c(N5c6c(ccc7ccccc67)-c6cccc7cccc5c67)cccc34)nc3ccccc23)nc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cccc(N6c7c(ccc8ccccc78)-c7cccc8cccc6c78)c5)nc5ccccc45)cc32)cc1.c1ccc2c(-c3nc(-n4c5ccccc5c5ccccc54)c4ccccc4n3)c(N3c4c(ccc5ccccc45)-c4cccc5cccc3c45)ccc2c1.c1cncc(-c2nc(-c3cccc(N4c5c(ccc6ccccc56)-c5cccc6cccc4c56)c3)nc3ccccc23)c1
• InChI: InChI=1S/C52H32N4.C50H30N4.C43H26N4.C39H24N4/c1-2-17-37(18-3-1)55-46-25-9-7-21-40(46)41-29-28-35(32-48(41)55)50-44-22-6-8-24-45(44)53-52(54-50)36-16-10-19-38(31-36)56-47-26-12-15-34-14-11-23-42(49(34)47)43-30-27-33-13-4-5-20-39(33)51(43)56;1-3-17-34-31(13-1)28-30-45(53-44-26-12-16-33-15-11-22-38(46(33)44)39-29-27-32-14-2-4-18-35(32)48(39)53)47(34)49-51-41-23-8-5-21-40(41)50(52-49)54-42-24-9-6-19-36(42)37-20-7-10-25-43(37)54;1-2-14-29-27(11-1)24-25-33-32-18-7-12-28-13-8-23-39(40(28)32)47(42(29)33)38-22-10-16-30-31(38)17-9-19-34(30)43-45-36-20-4-3-15-35(36)41(46-43)37-21-5-6-26-44-37;1-2-15-30-25(9-1)20-21-32-31-17-6-10-26-11-7-19-35(36(26)31)43(38(30)32)29-14-5-12-27(23-29)39-41-34-18-4-3-16-33(34)37(42-39)28-13-8-22-40-24-28/h1-32H;1-30H;1-26H;1-24H
• InChIKey: UZMZHOZDOKDGFS-UHFFFAOYSA-N
• XLogP: 48.51
• TPSA: 151.72 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2547.03
LogP ≤ 5	48.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?

The IUPAC name of 12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene (CID 161237052) is 12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene.

What is the SMILES notation for 12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?

The canonical SMILES for 12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene is c1ccc(-c2nc(-c3cccc4c(N5c6c(ccc7ccccc67)-c6cccc7cccc5c67)cccc34)nc3ccccc23)nc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cccc(N6c7c(ccc8ccccc78)-c7cccc8cccc6c78)c5)nc5ccccc45)cc32)cc1.c1ccc2c(-c3nc(-n4c5ccccc5c5ccccc54)c4ccccc4n3)c(N3c4c(ccc5ccccc45)-c4cccc5cccc3c45)ccc2c1.c1cncc(-c2nc(-c3cccc(N4c5c(ccc6ccccc56)-c5cccc6cccc4c56)c3)nc3ccccc23)c1.

What is the InChIKey of 12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?

The InChIKey is UZMZHOZDOKDGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4.C50H30N4.C43H26N4.C39H24N4/c1-2-17-37(18-3-1)55-46-25-9-7-21-40(46)41-29-28-35(32-48(41)55)50-44-22-6-8-24-45(44)53-52(54-50)36-16-10-19-38(31-36)56-47-26-12-15-34-14-11-23-42(49(34)47)43-30-27-33-13-4-5-20-39(33)51(43)56;1-3-17-34-31(13-1)28-30-45(53-44-26-12-16-33-15-11-22-38(46(33)44)39-29-27-32-14-2-4-18-35(32)48(39)53)47(34)49-51-41-23-8-5-21-40(41)50(52-49)54-42-24-9-6-19-36(42)37-20-7-10-25-43(37)54;1-2-14-29-27(11-1)24-25-33-32-18-7-12-28-13-8-23-39(40(28)32)47(42(29)33)38-22-10-16-30-31(38)17-9-19-34(30)43-45-36-20-4-3-15-35(36)41(46-43)37-21-5-6-26-44-37;1-2-15-30-25(9-1)20-21-32-31-17-6-10-26-11-7-19-35(36(26)31)43(38(30)32)29-14-5-12-27(23-29)39-41-34-18-4-3-16-33(34)37(42-39)28-13-8-22-40-24-28/h1-32H;1-30H;1-26H;1-24H.

What are the key properties of 12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?

12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene has a molecular weight of 2547.03 g/mol, XLogP of 48.51, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene is sourced from PubChem (CID 161237052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).