N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-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)naphthalen-1-yl]naphthalen-1-amine

C72H54N2S — CID 90201483

About N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-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)naphthalen-1-yl]naphthalen-1-amine

N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-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)naphthalen-1-yl]naphthalen-1-amine (PubChem CID 90201483) has the molecular formula C72H54N2S and a molecular weight of 979.30 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-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)naphthalen-1-yl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-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)naphthalen-1-yl]naphthalen-1-amine
• PubChem CID: 90201483
• Molecular Formula: C72H54N2S
• Molecular Weight: 979.30 g/mol
• Exact Mass: 978.40
• IUPAC Name: N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-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)naphthalen-1-yl]naphthalen-1-amine
• SMILES: CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccc(-c8ccccc8)s7)cc6)c6ccccc56)c5ccccc45)cc1c32
• InChI: InChI=1S/C72H54N2S/c1-71(2)61-27-15-17-29-66(61)74-67-30-18-16-28-62(67)72(3,4)64-46-51(45-63(71)70(64)74)54-39-40-58(56-24-12-11-23-55(54)56)59-41-42-65(60-26-14-13-25-57(59)60)73(52-35-31-48(32-36-52)47-19-7-5-8-20-47)53-37-33-50(34-38-53)69-44-43-68(75-69)49-21-9-6-10-22-49/h5-46H,1-4H3
• InChIKey: NKDYUJATZWAMBV-UHFFFAOYSA-N
• XLogP: 20.61
• TPSA: 6.48 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	979.30
LogP ≤ 5	20.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-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)naphthalen-1-yl]naphthalen-1-amine?

The IUPAC name of N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-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)naphthalen-1-yl]naphthalen-1-amine (CID 90201483) is N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-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)naphthalen-1-yl]naphthalen-1-amine.

What is the SMILES notation for N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-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)naphthalen-1-yl]naphthalen-1-amine?

The canonical SMILES for N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-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)naphthalen-1-yl]naphthalen-1-amine is CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccc(-c8ccccc8)s7)cc6)c6ccccc56)c5ccccc45)cc1c32.

What is the InChIKey of N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-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)naphthalen-1-yl]naphthalen-1-amine?

The InChIKey is NKDYUJATZWAMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N2S/c1-71(2)61-27-15-17-29-66(61)74-67-30-18-16-28-62(67)72(3,4)64-46-51(45-63(71)70(64)74)54-39-40-58(56-24-12-11-23-55(54)56)59-41-42-65(60-26-14-13-25-57(59)60)73(52-35-31-48(32-36-52)47-19-7-5-8-20-47)53-37-33-50(34-38-53)69-44-43-68(75-69)49-21-9-6-10-22-49/h5-46H,1-4H3.

What are the key properties of N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-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)naphthalen-1-yl]naphthalen-1-amine?

N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-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)naphthalen-1-yl]naphthalen-1-amine has a molecular weight of 979.30 g/mol, XLogP of 20.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-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)naphthalen-1-yl]naphthalen-1-amine is sourced from PubChem (CID 90201483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).