1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole

C68H42N4 — CID 146375191

About 1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole

1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146375191) has the molecular formula C68H42N4 and a molecular weight of 915.11 g/mol. Its IUPAC name is 1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
• PubChem CID: 146375191
• Molecular Formula: C68H42N4
• Molecular Weight: 915.11 g/mol
• Exact Mass: 914.34
• IUPAC Name: 1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c(-n7c8ccccc8c8c9ccccc9ccc87)cccc65)c5ccccc45)c4ccccc4n3)c2)cc1
• InChI: InChI=1S/C68H42N4/c1-3-18-43(19-4-1)48-38-49(44-20-5-2-6-21-44)40-50(39-48)68-69-58-30-15-13-28-55(58)67(70-68)54-35-37-60(53-27-12-11-26-52(53)54)72-62-33-17-32-61(66(62)57-41-46-23-7-8-24-47(46)42-64(57)72)71-59-31-16-14-29-56(59)65-51-25-10-9-22-45(51)34-36-63(65)71/h1-42H
• InChIKey: QOAJIECTZHIFOE-UHFFFAOYSA-N
• XLogP: 17.95
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.11
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole?

The IUPAC name of 1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole (CID 146375191) is 1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole.

What is the SMILES notation for 1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole?

The canonical SMILES for 1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c(-n7c8ccccc8c8c9ccccc9ccc87)cccc65)c5ccccc45)c4ccccc4n3)c2)cc1.

What is the InChIKey of 1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole?

The InChIKey is QOAJIECTZHIFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N4/c1-3-18-43(19-4-1)48-38-49(44-20-5-2-6-21-44)40-50(39-48)68-69-58-30-15-13-28-55(58)67(70-68)54-35-37-60(53-27-12-11-26-52(53)54)72-62-33-17-32-61(66(62)57-41-46-23-7-8-24-47(46)42-64(57)72)71-59-31-16-14-29-56(59)65-51-25-10-9-22-45(51)34-36-63(65)71/h1-42H.

What are the key properties of 1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole?

1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 915.11 g/mol, XLogP of 17.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146375191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).