N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline

C56H37N3 — CID 129133998

About N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline

N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline (PubChem CID 129133998) has the molecular formula C56H37N3 and a molecular weight of 751.93 g/mol. Its IUPAC name is N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline
• PubChem CID: 129133998
• Molecular Formula: C56H37N3
• Molecular Weight: 751.93 g/mol
• Exact Mass: 751.30
• IUPAC Name: N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline
• SMILES: c1ccc(N(c2ccccc2)c2ccc(N3c4cc5ccccc5cc4-c4cccc5c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc3c45)cc2)cc1
• InChI: InChI=1S/C56H37N3/c1-4-17-41(18-5-1)57(42-19-6-2-7-20-42)44-28-30-45(31-29-44)59-53-34-33-46(49-24-14-25-50(56(49)53)51-35-38-15-10-11-16-39(38)36-55(51)59)40-27-32-48-47-23-12-13-26-52(47)58(54(48)37-40)43-21-8-3-9-22-43/h1-37H
• InChIKey: YUFPMCKBMCIZTA-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.93
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline?

The IUPAC name of N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline (CID 129133998) is N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline.

What is the SMILES notation for N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline?

The canonical SMILES for N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(N3c4cc5ccccc5cc4-c4cccc5c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc3c45)cc2)cc1.

What is the InChIKey of N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline?

The InChIKey is YUFPMCKBMCIZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3/c1-4-17-41(18-5-1)57(42-19-6-2-7-20-42)44-28-30-45(31-29-44)59-53-34-33-46(49-24-14-25-50(56(49)53)51-35-38-15-10-11-16-39(38)36-55(51)59)40-27-32-48-47-23-12-13-26-52(47)58(54(48)37-40)43-21-8-3-9-22-43/h1-37H.

What are the key properties of N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline?

N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline has a molecular weight of 751.93 g/mol, XLogP of 15.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline is sourced from PubChem (CID 129133998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).