N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

C60H40N2O — CID 153468645

About N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (PubChem CID 153468645) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

Molecular Properties

• Compound Name: N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
• PubChem CID: 153468645
• Molecular Formula: C60H40N2O
• Molecular Weight: 804.99 g/mol
• Exact Mass: 804.31
• IUPAC Name: N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)c5ccccc45)cc3)c3cc4oc5ccc6ccccc6c5c4c4ccccc34)cc2)cc1
• InChI: InChI=1S/C60H40N2O/c1-4-16-41(17-5-1)42-28-33-47(34-29-42)62(56-40-58-60(54-27-15-14-26-53(54)56)59-50-23-11-10-18-43(50)32-39-57(59)63-58)48-35-30-44(31-36-48)49-37-38-55(52-25-13-12-24-51(49)52)61(45-19-6-2-7-20-45)46-21-8-3-9-22-46/h1-40H
• InChIKey: OGXPJGQXPVMBKC-UHFFFAOYSA-N
• XLogP: 17.32
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.99
LogP ≤ 5	17.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

The IUPAC name of N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (CID 153468645) is N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

What is the SMILES notation for N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

The canonical SMILES for N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)c5ccccc45)cc3)c3cc4oc5ccc6ccccc6c5c4c4ccccc34)cc2)cc1.

What is the InChIKey of N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

The InChIKey is OGXPJGQXPVMBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-4-16-41(17-5-1)42-28-33-47(34-29-42)62(56-40-58-60(54-27-15-14-26-53(54)56)59-50-23-11-10-18-43(50)32-39-57(59)63-58)48-35-30-44(31-36-48)49-37-38-55(52-25-13-12-24-51(49)52)61(45-19-6-2-7-20-45)46-21-8-3-9-22-46/h1-40H.

What are the key properties of N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine has a molecular weight of 804.99 g/mol, XLogP of 17.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is sourced from PubChem (CID 153468645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).