5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole

C54H33N3O — CID 134252605

IUPAC5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6oc5c5c6ccccc6n(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c45)ccc32)cc1
InChIInChI=1S/C54H33N3O/c1-2-14-35(15-3-1)55-48-23-11-6-18-40(48)44-32-34(26-31-50(44)55)43-33-45-41-19-8-13-25-51(41)58-54(45)52-42-20-7-12-24-49(42)57(53(43)52)37-29-27-36(28-30-37)56-46-21-9-4-16-38(46)39-17-5-10-22-47(39)56/h1-33H
InChIKeyYHPKUHBFJZILLF-UHFFFAOYSA-N
MW739.88 g/mol
LogP14.54
Rot. Bonds4

About 5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole

5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 134252605) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID134252605
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6oc5c5c6ccccc6n(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c45)ccc32)cc1
InChIInChI=1S/C54H33N3O/c1-2-14-35(15-3-1)55-48-23-11-6-18-40(48)44-32-34(26-31-50(44)55)43-33-45-41-19-8-13-25-51(41)58-54(45)52-42-20-7-12-24-49(42)57(53(43)52)37-29-27-36(28-30-37)56-46-21-9-4-16-38(46)39-17-5-10-22-47(39)56/h1-33H
InChIKeyYHPKUHBFJZILLF-UHFFFAOYSA-N
XLogP14.54
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656557
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
CID 134530399
5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252386
12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 134530401
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252675
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656421
N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
CID 134252450
9-[4-(9-phenylcarbazol-3-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118488580
14-(4-carbazol-9-ylphenyl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
CID 126656691
3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 118565404
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole (CID 134252605) is 5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6oc5c5c6ccccc6n(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c45)ccc32)cc1.
What is the InChIKey of 5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is YHPKUHBFJZILLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-2-14-35(15-3-1)55-48-23-11-6-18-40(48)44-32-34(26-31-50(44)55)43-33-45-41-19-8-13-25-51(41)58-54(45)52-42-20-7-12-24-49(42)57(53(43)52)37-29-27-36(28-30-37)56-46-21-9-4-16-38(46)39-17-5-10-22-47(39)56/h1-33H.
What are the key properties of 5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole?
5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 739.88 g/mol, XLogP of 14.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 134252605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).