14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene

C151H118N12 — CID 163899658

About 14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene

14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene (PubChem CID 163899658) has the molecular formula C151H118N12 and a molecular weight of 2100.69 g/mol. Its IUPAC name is 14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene.

Molecular Properties

• Compound Name: 14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene
• PubChem CID: 163899658
• Molecular Formula: C151H118N12
• Molecular Weight: 2100.69 g/mol
• Exact Mass: 2098.96
• IUPAC Name: 14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene
• SMILES: CC1(C)c2ccccc2-c2c(ccc3c2c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc2)C1(C)C.CC1(C)c2ccccc2-c2c(ccc3c2c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)C1(C)C.CC1(C)c2ccccc2-c2c(ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)c23)C1(C)C
• InChI: InChI=1S/2C51H40N4.C49H38N4/c1-50(2)42-24-13-11-23-41(42)45-43(51(50,3)4)31-30-40-39-22-12-14-25-44(39)55(46(40)45)38-28-26-35(27-29-38)48-52-47(34-18-9-6-10-19-34)53-49(54-48)37-21-15-20-36(32-37)33-16-7-5-8-17-33;1-50(2)41-24-13-11-22-39(41)45-42(51(50,3)4)30-31-44-46(45)40-23-12-14-25-43(40)55(44)38-28-26-35(27-29-38)48-52-47(34-18-9-6-10-19-34)53-49(54-48)37-21-15-20-36(32-37)33-16-7-5-8-17-33;1-48(2)39-20-12-10-18-37(39)43-40(49(48,3)4)28-29-42-44(43)38-19-11-13-21-41(38)53(42)36-26-24-33(25-27-36)46-50-45(32-15-6-5-7-16-32)51-47(52-46)35-23-22-31-14-8-9-17-34(31)30-35/h2*5-32H,1-4H3;5-30H,1-4H3
• InChIKey: QISAXLFOHAYBOF-UHFFFAOYSA-N
• XLogP: 38.10
• TPSA: 130.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2100.69
LogP ≤ 5	38.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene?

The IUPAC name of 14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene (CID 163899658) is 14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene.

What is the SMILES notation for 14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene?

The canonical SMILES for 14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene is CC1(C)c2ccccc2-c2c(ccc3c2c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc2)C1(C)C.CC1(C)c2ccccc2-c2c(ccc3c2c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)C1(C)C.CC1(C)c2ccccc2-c2c(ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)c23)C1(C)C.

What is the InChIKey of 14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene?

The InChIKey is QISAXLFOHAYBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H40N4.C49H38N4/c1-50(2)42-24-13-11-23-41(42)45-43(51(50,3)4)31-30-40-39-22-12-14-25-44(39)55(46(40)45)38-28-26-35(27-29-38)48-52-47(34-18-9-6-10-19-34)53-49(54-48)37-21-15-20-36(32-37)33-16-7-5-8-17-33;1-50(2)41-24-13-11-22-39(41)45-42(51(50,3)4)30-31-44-46(45)40-23-12-14-25-43(40)55(44)38-28-26-35(27-29-38)48-52-47(34-18-9-6-10-19-34)53-49(54-48)37-21-15-20-36(32-37)33-16-7-5-8-17-33;1-48(2)39-20-12-10-18-37(39)43-40(49(48,3)4)28-29-42-44(43)38-19-11-13-21-41(38)53(42)36-26-24-33(25-27-36)46-50-45(32-15-6-5-7-16-32)51-47(52-46)35-23-22-31-14-8-9-17-34(31)30-35/h2*5-32H,1-4H3;5-30H,1-4H3.

What are the key properties of 14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene?

14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene has a molecular weight of 2100.69 g/mol, XLogP of 38.10, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene is sourced from PubChem (CID 163899658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).