N-phenyl-N-(2-phenylphenyl)-16-[4-(N-[3-[3-(2,4,6-trimethyl-N-[16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine

C109H76N4O2 — CID 130347106

About N-phenyl-N-(2-phenylphenyl)-16-[4-(N-[3-[3-(2,4,6-trimethyl-N-[16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine

N-phenyl-N-(2-phenylphenyl)-16-[4-(N-[3-[3-(2,4,6-trimethyl-N-[16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine (PubChem CID 130347106) has the molecular formula C109H76N4O2 and a molecular weight of 1473.83 g/mol. Its IUPAC name is N-phenyl-N-(2-phenylphenyl)-16-[4-(N-[3-[3-(2,4,6-trimethyl-N-[16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine.

Molecular Properties

• Compound Name: N-phenyl-N-(2-phenylphenyl)-16-[4-(N-[3-[3-(2,4,6-trimethyl-N-[16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
• PubChem CID: 130347106
• Molecular Formula: C109H76N4O2
• Molecular Weight: 1473.83 g/mol
• Exact Mass: 1472.60
• IUPAC Name: N-phenyl-N-(2-phenylphenyl)-16-[4-(N-[3-[3-(2,4,6-trimethyl-N-[16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
• SMILES: Cc1cc(C)c(N(c2cccc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccc6cc7c8c(cccc8c6c5)Oc5cc(N(c6ccccc6)c6ccccc6-c6ccccc6)ccc5-7)cc4)c3)c2)c2ccc3c(c2)Oc2cccc4c2c-3cc2ccc(-c3ccc(N(c5ccccc5)c5ccccc5)cc3)cc24)c(C)c1
• InChI: InChI=1S/C109H76N4O2/c1-71-61-72(2)109(73(3)62-71)113(92-58-60-95-101-68-82-47-45-79(65-98(82)97-41-24-44-104(108(97)101)115-106(95)70-92)74-49-53-87(54-50-74)110(83-29-11-5-12-30-83)84-31-13-6-14-32-84)90-38-22-28-78(64-90)77-27-21-37-89(63-77)111(85-33-15-7-16-34-85)88-55-51-75(52-56-88)80-46-48-81-67-100-94-59-57-91(69-105(94)114-103-43-23-40-96(107(100)103)99(81)66-80)112(86-35-17-8-18-36-86)102-42-20-19-39-93(102)76-25-9-4-10-26-76/h4-70H,1-3H3
• InChIKey: LIGGDJBPZNZUAA-UHFFFAOYSA-N
• XLogP: 31.32
• TPSA: 31.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1473.83
LogP ≤ 5	31.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2-phenylphenyl)-16-[4-(N-[3-[3-(2,4,6-trimethyl-N-[16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?

The IUPAC name of N-phenyl-N-(2-phenylphenyl)-16-[4-(N-[3-[3-(2,4,6-trimethyl-N-[16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine (CID 130347106) is N-phenyl-N-(2-phenylphenyl)-16-[4-(N-[3-[3-(2,4,6-trimethyl-N-[16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine.

What is the SMILES notation for N-phenyl-N-(2-phenylphenyl)-16-[4-(N-[3-[3-(2,4,6-trimethyl-N-[16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?

The canonical SMILES for N-phenyl-N-(2-phenylphenyl)-16-[4-(N-[3-[3-(2,4,6-trimethyl-N-[16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine is Cc1cc(C)c(N(c2cccc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccc6cc7c8c(cccc8c6c5)Oc5cc(N(c6ccccc6)c6ccccc6-c6ccccc6)ccc5-7)cc4)c3)c2)c2ccc3c(c2)Oc2cccc4c2c-3cc2ccc(-c3ccc(N(c5ccccc5)c5ccccc5)cc3)cc24)c(C)c1.

What is the InChIKey of N-phenyl-N-(2-phenylphenyl)-16-[4-(N-[3-[3-(2,4,6-trimethyl-N-[16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?

The InChIKey is LIGGDJBPZNZUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H76N4O2/c1-71-61-72(2)109(73(3)62-71)113(92-58-60-95-101-68-82-47-45-79(65-98(82)97-41-24-44-104(108(97)101)115-106(95)70-92)74-49-53-87(54-50-74)110(83-29-11-5-12-30-83)84-31-13-6-14-32-84)90-38-22-28-78(64-90)77-27-21-37-89(63-77)111(85-33-15-7-16-34-85)88-55-51-75(52-56-88)80-46-48-81-67-100-94-59-57-91(69-105(94)114-103-43-23-40-96(107(100)103)99(81)66-80)112(86-35-17-8-18-36-86)102-42-20-19-39-93(102)76-25-9-4-10-26-76/h4-70H,1-3H3.

What are the key properties of N-phenyl-N-(2-phenylphenyl)-16-[4-(N-[3-[3-(2,4,6-trimethyl-N-[16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?

N-phenyl-N-(2-phenylphenyl)-16-[4-(N-[3-[3-(2,4,6-trimethyl-N-[16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine has a molecular weight of 1473.83 g/mol, XLogP of 31.32, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-(2-phenylphenyl)-16-[4-(N-[3-[3-(2,4,6-trimethyl-N-[16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine is sourced from PubChem (CID 130347106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).