9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole

C68H41N5 — CID 146375007

About 9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole

9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146375007) has the molecular formula C68H41N5 and a molecular weight of 928.11 g/mol. Its IUPAC name is 9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
• PubChem CID: 146375007
• Molecular Formula: C68H41N5
• Molecular Weight: 928.11 g/mol
• Exact Mass: 927.34
• IUPAC Name: 9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccccc5nc4-c4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9c%10ccccc%10ccc98)ccc7cc65)c5ccccc45)cc32)cc1
• InChI: InChI=1S/C68H41N5/c1-2-17-46(18-3-1)71-59-27-13-8-22-51(59)53-34-31-44(41-64(53)71)67-68(70-58-26-12-11-25-57(58)69-67)54-35-37-62(50-21-7-6-20-49(50)54)73-60-28-14-9-23-52(60)56-39-45-38-47(33-30-43(45)40-65(56)73)72-61-29-15-10-24-55(61)66-48-19-5-4-16-42(48)32-36-63(66)72/h1-41H
• InChIKey: QEFFYTHHKWMRHJ-UHFFFAOYSA-N
• XLogP: 17.71
• TPSA: 40.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.11
LogP ≤ 5	17.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole?

The IUPAC name of 9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole (CID 146375007) is 9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole.

What is the SMILES notation for 9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole?

The canonical SMILES for 9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccccc5nc4-c4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9c%10ccccc%10ccc98)ccc7cc65)c5ccccc45)cc32)cc1.

What is the InChIKey of 9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole?

The InChIKey is QEFFYTHHKWMRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41N5/c1-2-17-46(18-3-1)71-59-27-13-8-22-51(59)53-34-31-44(41-64(53)71)67-68(70-58-26-12-11-25-57(58)69-67)54-35-37-62(50-21-7-6-20-49(50)54)73-60-28-14-9-23-52(60)56-39-45-38-47(33-30-43(45)40-65(56)73)72-61-29-15-10-24-55(61)66-48-19-5-4-16-42(48)32-36-63(66)72/h1-41H.

What are the key properties of 9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole?

9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 928.11 g/mol, XLogP of 17.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146375007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).