9-phenyl-12-[5-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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

C118H74N6 — CID 159734285

About 9-phenyl-12-[5-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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

9-phenyl-12-[5-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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 159734285) has the molecular formula C118H74N6 and a molecular weight of 1575.93 g/mol. Its IUPAC name is 9-phenyl-12-[5-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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: 9-phenyl-12-[5-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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: 159734285
• Molecular Formula: C118H74N6
• Molecular Weight: 1575.93 g/mol
• Exact Mass: 1574.60
• IUPAC Name: 9-phenyl-12-[5-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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(-c2ccc(-c3cccc(-c4nc(-c5cccc6c(-n7c8ccc9ccccc9c8c8c9ccccc9c(-c9ccccc9)cc87)cccc56)nc5ccccc45)c3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc5c(-n6c7ccc8ccccc8c7c7c8ccccc8c(-c8ccccc8)cc76)cccc45)nc4ccccc34)c2)cc1
• InChI: InChI=1S/C62H39N3.C56H35N3/c1-3-16-40(17-4-1)41-32-34-42(35-33-41)45-21-13-22-46(38-45)61-53-26-11-12-30-55(53)63-62(64-61)52-29-14-28-50-48(52)27-15-31-56(50)65-57-37-36-44-20-7-8-23-47(44)59(57)60-51-25-10-9-24-49(51)54(39-58(60)65)43-18-5-2-6-19-43;1-3-16-36(17-4-1)39-21-13-22-40(34-39)55-47-26-11-12-30-49(47)57-56(58-55)46-29-14-28-44-42(46)27-15-31-50(44)59-51-33-32-38-20-7-8-23-41(38)53(51)54-45-25-10-9-24-43(45)48(35-52(54)59)37-18-5-2-6-19-37/h1-39H;1-35H
• InChIKey: NBQGQYKWBLBFOM-UHFFFAOYSA-N
• XLogP: 31.38
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1575.93
LogP ≤ 5	31.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-12-[5-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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 9-phenyl-12-[5-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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 159734285) is 9-phenyl-12-[5-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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 9-phenyl-12-[5-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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 9-phenyl-12-[5-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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(-c2ccc(-c3cccc(-c4nc(-c5cccc6c(-n7c8ccc9ccccc9c8c8c9ccccc9c(-c9ccccc9)cc87)cccc56)nc5ccccc45)c3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc5c(-n6c7ccc8ccccc8c7c7c8ccccc8c(-c8ccccc8)cc76)cccc45)nc4ccccc34)c2)cc1.

What is the InChIKey of 9-phenyl-12-[5-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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 NBQGQYKWBLBFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3.C56H35N3/c1-3-16-40(17-4-1)41-32-34-42(35-33-41)45-21-13-22-46(38-45)61-53-26-11-12-30-55(53)63-62(64-61)52-29-14-28-50-48(52)27-15-31-56(50)65-57-37-36-44-20-7-8-23-47(44)59(57)60-51-25-10-9-24-49(51)54(39-58(60)65)43-18-5-2-6-19-43;1-3-16-36(17-4-1)39-21-13-22-40(34-39)55-47-26-11-12-30-49(47)57-56(58-55)46-29-14-28-44-42(46)27-15-31-50(44)59-51-33-32-38-20-7-8-23-41(38)53(51)54-45-25-10-9-24-43(45)48(35-52(54)59)37-18-5-2-6-19-37/h1-39H;1-35H.

What are the key properties of 9-phenyl-12-[5-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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?

9-phenyl-12-[5-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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 1575.93 g/mol, XLogP of 31.38, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-12-[5-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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 159734285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).