12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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

C174H102N12S3 — CID 163995982

About 12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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

12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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 (PubChem CID 163995982) has the molecular formula C174H102N12S3 and a molecular weight of 2457.01 g/mol. Its IUPAC name is 12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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.

Molecular Properties

• Compound Name: 12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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
• PubChem CID: 163995982
• Molecular Formula: C174H102N12S3
• Molecular Weight: 2457.01 g/mol
• Exact Mass: 2454.75
• IUPAC Name: 12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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
• SMILES: c1ccc(-n2c3ccccc3c3c(-c4nc(-c5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cc6c5sc5ccccc56)nc5ccccc45)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cc6c5sc5ccccc56)nc5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cc6c5sc5ccccc56)nc5ccccc45)cc32)cc1
• InChI: InChI=1S/3C58H34N4S/c1-2-17-37(18-3-1)61-48-26-12-9-23-43(48)53-44(24-14-27-49(53)61)56-42-22-8-11-25-47(42)59-58(60-56)46-34-38(33-45-41-21-10-13-28-52(41)63-57(45)46)62-50-31-29-35-15-4-6-19-39(35)54(50)55-40-20-7-5-16-36(40)30-32-51(55)62;1-2-16-38(17-3-1)61-49-24-12-9-20-42(49)45-32-37(28-29-50(45)61)56-44-22-8-11-23-48(44)59-58(60-56)47-34-39(33-46-43-21-10-13-25-53(43)63-57(46)47)62-51-30-26-35-14-4-6-18-40(35)54(51)55-41-19-7-5-15-36(41)27-31-52(55)62;1-2-16-38(17-3-1)61-49-24-12-9-20-42(49)43-29-26-37(32-52(43)61)56-45-22-8-11-23-48(45)59-58(60-56)47-34-39(33-46-44-21-10-13-25-53(44)63-57(46)47)62-50-30-27-35-14-4-6-18-40(35)54(50)55-41-19-7-5-15-36(41)28-31-51(55)62/h3*1-34H
• InChIKey: UESLXGYTFXHWRL-UHFFFAOYSA-N
• XLogP: 47.50
• TPSA: 106.92 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2457.01
LogP ≤ 5	47.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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?

The IUPAC name of 12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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 163995982) is 12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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.

What is the SMILES notation for 12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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?

The canonical SMILES for 12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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 is c1ccc(-n2c3ccccc3c3c(-c4nc(-c5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cc6c5sc5ccccc56)nc5ccccc45)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cc6c5sc5ccccc56)nc5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cc6c5sc5ccccc56)nc5ccccc45)cc32)cc1.

What is the InChIKey of 12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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?

The InChIKey is UESLXGYTFXHWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C58H34N4S/c1-2-17-37(18-3-1)61-48-26-12-9-23-43(48)53-44(24-14-27-49(53)61)56-42-22-8-11-25-47(42)59-58(60-56)46-34-38(33-45-41-21-10-13-28-52(41)63-57(45)46)62-50-31-29-35-15-4-6-19-39(35)54(50)55-40-20-7-5-16-36(40)30-32-51(55)62;1-2-16-38(17-3-1)61-49-24-12-9-20-42(49)45-32-37(28-29-50(45)61)56-44-22-8-11-23-48(44)59-58(60-56)47-34-39(33-46-43-21-10-13-25-53(43)63-57(46)47)62-51-30-26-35-14-4-6-18-40(35)54(51)55-41-19-7-5-15-36(41)27-31-52(55)62;1-2-16-38(17-3-1)61-49-24-12-9-20-42(49)43-29-26-37(32-52(43)61)56-45-22-8-11-23-48(45)59-58(60-56)47-34-39(33-46-44-21-10-13-25-53(44)63-57(46)47)62-50-30-27-35-14-4-6-18-40(35)54(50)55-41-19-7-5-15-36(41)28-31-51(55)62/h3*1-34H.

What are the key properties of 12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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?

12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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 has a molecular weight of 2457.01 g/mol, XLogP of 47.50, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-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 is sourced from PubChem (CID 163995982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).