14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

C67H43N3 — CID 129124285

About 14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (PubChem CID 129124285) has the molecular formula C67H43N3 and a molecular weight of 890.10 g/mol. Its IUPAC name is 14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• PubChem CID: 129124285
• Molecular Formula: C67H43N3
• Molecular Weight: 890.10 g/mol
• Exact Mass: 889.35
• IUPAC Name: 14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• SMILES: c1ccc(-c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccccc7)cc6)cc5n(-c5ccc(-c6nc7ccccc7c7c6ccc6c7c7ccccc7n6-c6ccccc6)cc5)c4c3)cc2)cc1
• InChI: InChI=1S/C67H43N3/c1-4-14-44(15-5-1)46-24-28-48(29-25-46)51-34-38-55-56-39-35-52(49-30-26-47(27-31-49)45-16-6-2-7-17-45)43-64(56)70(63(55)42-51)54-36-32-50(33-37-54)67-59-40-41-62-66(65(59)57-20-10-12-22-60(57)68-67)58-21-11-13-23-61(58)69(62)53-18-8-3-9-19-53/h1-43H
• InChIKey: GNHUHWIRDRYMLC-UHFFFAOYSA-N
• XLogP: 17.92
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.10
LogP ≤ 5	17.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The IUPAC name of 14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (CID 129124285) is 14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

What is the SMILES notation for 14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The canonical SMILES for 14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is c1ccc(-c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccccc7)cc6)cc5n(-c5ccc(-c6nc7ccccc7c7c6ccc6c7c7ccccc7n6-c6ccccc6)cc5)c4c3)cc2)cc1.

What is the InChIKey of 14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The InChIKey is GNHUHWIRDRYMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N3/c1-4-14-44(15-5-1)46-24-28-48(29-25-46)51-34-38-55-56-39-35-52(49-30-26-47(27-31-49)45-16-6-2-7-17-45)43-64(56)70(63(55)42-51)54-36-32-50(33-37-54)67-59-40-41-62-66(65(59)57-20-10-12-22-60(57)68-67)58-21-11-13-23-61(58)69(62)53-18-8-3-9-19-53/h1-43H.

What are the key properties of 14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene has a molecular weight of 890.10 g/mol, XLogP of 17.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 129124285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).