9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole

C48H30N4 — CID 154952576

IUPAC9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole

SMILESc1ccc(-c2cc3nccnc3cc2-n2c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc3c3c4ccccc4ccc32)cc1

InChIInChI=1S/C48H30N4/c1-3-12-31(13-4-1)40-29-41-42(50-27-26-49-41)30-46(40)52-44-25-23-32-14-7-8-17-35(32)47(44)39-24-22-33(28-45(39)52)36-19-11-20-38-37-18-9-10-21-43(37)51(48(36)38)34-15-5-2-6-16-34/h1-30H

InChIKeyNRNPIRZGDPQLCY-UHFFFAOYSA-N

MW662.80 g/mol

LogP12.31

Rot. Bonds4

About 9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole

9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole (PubChem CID 154952576) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole.

Molecular Properties

Compound Name	9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole
PubChem CID	154952576
Molecular Formula	C48H30N4
Molecular Weight	662.80 g/mol
Exact Mass	662.25
IUPAC Name	9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole
SMILES	c1ccc(-c2cc3nccnc3cc2-n2c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc3c3c4ccccc4ccc32)cc1
InChI	InChI=1S/C48H30N4/c1-3-12-31(13-4-1)40-29-41-42(50-27-26-49-41)30-46(40)52-44-25-23-32-14-7-8-17-35(32)47(44)39-24-22-33(28-45(39)52)36-19-11-20-38-37-18-9-10-21-43(37)51(48(36)38)34-15-5-2-6-16-34/h1-30H
InChIKey	NRNPIRZGDPQLCY-UHFFFAOYSA-N
XLogP	12.31
TPSA	35.64 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	52
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.80
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole?

The IUPAC name of 9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole (CID 154952576) is 9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole.

What is the SMILES notation for 9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole?

The canonical SMILES for 9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole is c1ccc(-c2cc3nccnc3cc2-n2c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc3c3c4ccccc4ccc32)cc1.

What is the InChIKey of 9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole?

The InChIKey is NRNPIRZGDPQLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-3-12-31(13-4-1)40-29-41-42(50-27-26-49-41)30-46(40)52-44-25-23-32-14-7-8-17-35(32)47(44)39-24-22-33(28-45(39)52)36-19-11-20-38-37-18-9-10-21-43(37)51(48(36)38)34-15-5-2-6-16-34/h1-30H.

What are the key properties of 9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole?

9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole has a molecular weight of 662.80 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole is sourced from PubChem (CID 154952576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).