20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene

C54H35N3 — CID 71037087

About 20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene

20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene (PubChem CID 71037087) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: 20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
• PubChem CID: 71037087
• Molecular Formula: C54H35N3
• Molecular Weight: 725.90 g/mol
• Exact Mass: 725.28
• IUPAC Name: 20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6cc7c(cc6c6ncccc65)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)cc4)ccc32)cc1
• InChI: InChI=1S/C54H35N3/c1-4-15-38(16-5-1)54(39-17-6-2-7-18-39)47-23-12-10-21-42(47)44-35-52-46(34-48(44)54)53-51(25-14-32-55-53)57(52)41-29-26-36(27-30-41)37-28-31-50-45(33-37)43-22-11-13-24-49(43)56(50)40-19-8-3-9-20-40/h1-35H
• InChIKey: SUTHYJSHHVLMPM-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.90
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?

The IUPAC name of 20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene (CID 71037087) is 20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene.

What is the SMILES notation for 20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?

The canonical SMILES for 20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6cc7c(cc6c6ncccc65)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)cc4)ccc32)cc1.

What is the InChIKey of 20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?

The InChIKey is SUTHYJSHHVLMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-4-15-38(16-5-1)54(39-17-6-2-7-18-39)47-23-12-10-21-42(47)44-35-52-46(34-48(44)54)53-51(25-14-32-55-53)57(52)41-29-26-36(27-30-41)37-28-31-50-45(33-37)43-22-11-13-24-49(43)56(50)40-19-8-3-9-20-40/h1-35H.

What are the key properties of 20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?

20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene has a molecular weight of 725.90 g/mol, XLogP of 13.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene is sourced from PubChem (CID 71037087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).