9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole

C54H39N3 — CID 58489442

IUPAC9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)n2-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc1
InChIInChI=1S/C54H39N3/c1-36-22-26-38(27-23-36)49-30-31-50(39-28-24-37(2)25-29-39)55(49)42-13-11-12-40(32-42)41-33-43(56-51-18-7-3-14-45(51)46-15-4-8-19-52(46)56)35-44(34-41)57-53-20-9-5-16-47(53)48-17-6-10-21-54(48)57/h3-35H,1-2H3
InChIKeyGKUVCMTYBOUDLY-UHFFFAOYSA-N
MW729.93 g/mol
LogP14.29
Rot. Bonds6

About 9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole

9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole (PubChem CID 58489442) has the molecular formula C54H39N3 and a molecular weight of 729.93 g/mol. Its IUPAC name is 9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole
PubChem CID58489442
Molecular FormulaC54H39N3
Molecular Weight729.93 g/mol
Exact Mass729.31
IUPAC Name9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)n2-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc1
InChIInChI=1S/C54H39N3/c1-36-22-26-38(27-23-36)49-30-31-50(39-28-24-37(2)25-29-39)55(49)42-13-11-12-40(32-42)41-33-43(56-51-18-7-3-14-45(51)46-15-4-8-19-52(46)56)35-44(34-41)57-53-20-9-5-16-47(53)48-17-6-10-21-54(48)57/h3-35H,1-2H3
InChIKeyGKUVCMTYBOUDLY-UHFFFAOYSA-N
XLogP14.29
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.93
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole
CID 58489426
9-[3-[3-(3-carbazol-9-ylphenyl)-5-methylphenyl]phenyl]carbazole
CID 59841971
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
3-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 144639934
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-3,6-dimethylcarbazole;2-methyl-9-[3-(2-methylcarbazol-9-yl)phenyl]carbazole;3-methyl-9-[3-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 160993744
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 122659667
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726
9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 161148569

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole?
The IUPAC name of 9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole (CID 58489442) is 9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole.
What is the SMILES notation for 9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole?
The canonical SMILES for 9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole is Cc1ccc(-c2ccc(-c3ccc(C)cc3)n2-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc1.
What is the InChIKey of 9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole?
The InChIKey is GKUVCMTYBOUDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N3/c1-36-22-26-38(27-23-36)49-30-31-50(39-28-24-37(2)25-29-39)55(49)42-13-11-12-40(32-42)41-33-43(56-51-18-7-3-14-45(51)46-15-4-8-19-52(46)56)35-44(34-41)57-53-20-9-5-16-47(53)48-17-6-10-21-54(48)57/h3-35H,1-2H3.
What are the key properties of 9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole?
9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole has a molecular weight of 729.93 g/mol, XLogP of 14.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole is sourced from PubChem (CID 58489442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).