N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine

C68H52N2 — CID 90201309

About N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine

N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine (PubChem CID 90201309) has the molecular formula C68H52N2 and a molecular weight of 897.18 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine
• PubChem CID: 90201309
• Molecular Formula: C68H52N2
• Molecular Weight: 897.18 g/mol
• Exact Mass: 896.41
• IUPAC Name: N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine
• SMILES: CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4ccc(-c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7cccc8ccccc78)cc6)c6ccccc56)cc4)cc1c32
• InChI: InChI=1S/C68H52N2/c1-67(2)59-24-12-14-26-64(59)70-65-27-15-13-25-60(65)68(3,4)62-44-51(43-61(67)66(62)70)47-29-31-49(32-30-47)54-41-42-55(58-23-11-10-22-57(54)58)50-35-39-53(40-36-50)69(63-28-16-20-48-19-8-9-21-56(48)63)52-37-33-46(34-38-52)45-17-6-5-7-18-45/h5-44H,1-4H3
• InChIKey: BJBWYXJKOWYDJF-UHFFFAOYSA-N
• XLogP: 18.88
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.18
LogP ≤ 5	18.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine?

The IUPAC name of N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine (CID 90201309) is N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine.

What is the SMILES notation for N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine?

The canonical SMILES for N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine is CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4ccc(-c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7cccc8ccccc78)cc6)c6ccccc56)cc4)cc1c32.

What is the InChIKey of N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine?

The InChIKey is BJBWYXJKOWYDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52N2/c1-67(2)59-24-12-14-26-64(59)70-65-27-15-13-25-60(65)68(3,4)62-44-51(43-61(67)66(62)70)47-29-31-49(32-30-47)54-41-42-55(58-23-11-10-22-57(54)58)50-35-39-53(40-36-50)69(63-28-16-20-48-19-8-9-21-56(48)63)52-37-33-46(34-38-52)45-17-6-5-7-18-45/h5-44H,1-4H3.

What are the key properties of N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine?

N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine has a molecular weight of 897.18 g/mol, XLogP of 18.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 90201309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).