N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine

C58H37N3O — CID 140905639

About N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine

N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine (PubChem CID 140905639) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine.

Molecular Properties

• Compound Name: N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine
• PubChem CID: 140905639
• Molecular Formula: C58H37N3O
• Molecular Weight: 791.95 g/mol
• Exact Mass: 791.29
• IUPAC Name: N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine
• SMILES: c1ccc(N(c2cccc(-c3ccc4c(c3)c3c5cc6c(cc5ccc3n4-c3ccccc3)oc3ccccc36)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C58H37N3O/c1-4-16-41(17-5-1)59(45-29-30-47-46-23-10-12-25-52(46)61(55(47)36-45)43-20-8-3-9-21-43)44-22-14-15-38(33-44)39-27-31-53-51(34-39)58-49-37-50-48-24-11-13-26-56(48)62-57(50)35-40(49)28-32-54(58)60(53)42-18-6-2-7-19-42/h1-37H
• InChIKey: DLRSMJHESQMOSL-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 26.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.95
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine?

The IUPAC name of N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine (CID 140905639) is N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine.

What is the SMILES notation for N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine?

The canonical SMILES for N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine is c1ccc(N(c2cccc(-c3ccc4c(c3)c3c5cc6c(cc5ccc3n4-c3ccccc3)oc3ccccc36)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.

What is the InChIKey of N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine?

The InChIKey is DLRSMJHESQMOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-4-16-41(17-5-1)59(45-29-30-47-46-23-10-12-25-52(46)61(55(47)36-45)43-20-8-3-9-21-43)44-22-14-15-38(33-44)39-27-31-53-51(34-39)58-49-37-50-48-24-11-13-26-56(48)62-57(50)35-40(49)28-32-54(58)60(53)42-18-6-2-7-19-42/h1-37H.

What are the key properties of N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine?

N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine has a molecular weight of 791.95 g/mol, XLogP of 16.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine is sourced from PubChem (CID 140905639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).