N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine

C130H85N5O — CID 158536996

About N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine

N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine (PubChem CID 158536996) has the molecular formula C130H85N5O and a molecular weight of 1733.14 g/mol. Its IUPAC name is N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
• PubChem CID: 158536996
• Molecular Formula: C130H85N5O
• Molecular Weight: 1733.14 g/mol
• Exact Mass: 1731.68
• IUPAC Name: N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
• SMILES: c1ccc(N(c2ccc(-c3ccc(-c4nc5ccccc5c5cc6c(cc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(-c4nc5ccccc5c5cc6c(cc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C68H45N3.C62H40N2O/c1-5-19-49(20-6-1)68(50-21-7-2-8-22-50)62-30-16-13-27-55(62)60-44-61-59(45-63(60)68)56-28-14-17-31-64(56)69-67(61)48-35-33-46(34-36-48)47-37-39-53(40-38-47)70(51-23-9-3-10-24-51)54-41-42-58-57-29-15-18-32-65(57)71(66(58)43-54)52-25-11-4-12-26-52;1-4-16-44(17-5-1)62(45-18-6-2-7-19-45)56-25-13-10-22-49(56)54-39-55-53(40-57(54)62)50-23-11-14-26-58(50)63-61(55)43-30-28-41(29-31-43)42-32-34-47(35-33-42)64(46-20-8-3-9-21-46)48-36-37-52-51-24-12-15-27-59(51)65-60(52)38-48/h1-45H;1-40H
• InChIKey: HOBFTHNRKIMMHE-UHFFFAOYSA-N
• XLogP: 34.11
• TPSA: 50.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1733.14
LogP ≤ 5	34.11
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-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine?

The IUPAC name of N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine (CID 158536996) is N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine.

What is the SMILES notation for N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine?

The canonical SMILES for N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine is c1ccc(N(c2ccc(-c3ccc(-c4nc5ccccc5c5cc6c(cc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(-c4nc5ccccc5c5cc6c(cc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.

What is the InChIKey of N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine?

The InChIKey is HOBFTHNRKIMMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N3.C62H40N2O/c1-5-19-49(20-6-1)68(50-21-7-2-8-22-50)62-30-16-13-27-55(62)60-44-61-59(45-63(60)68)56-28-14-17-31-64(56)69-67(61)48-35-33-46(34-36-48)47-37-39-53(40-38-47)70(51-23-9-3-10-24-51)54-41-42-58-57-29-15-18-32-65(57)71(66(58)43-54)52-25-11-4-12-26-52;1-4-16-44(17-5-1)62(45-18-6-2-7-19-45)56-25-13-10-22-49(56)54-39-55-53(40-57(54)62)50-23-11-14-26-58(50)63-61(55)43-30-28-41(29-31-43)42-32-34-47(35-33-42)64(46-20-8-3-9-21-46)48-36-37-52-51-24-12-15-27-59(51)65-60(52)38-48/h1-45H;1-40H.

What are the key properties of N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine?

N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine has a molecular weight of 1733.14 g/mol, XLogP of 34.11, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 158536996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).