4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole

C47H30N2 — CID 155588416

IUPAC4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole
SMILESC1=CC=C(c2ccccc2-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4ccccc4-c4ccccc4)cccc32)C=1
InChIInChI=1S/C47H30N2/c1-2-16-32(17-3-1)34-20-6-10-26-40(34)48-42-28-12-8-22-38(42)46-36(24-14-30-44(46)48)37-25-15-31-45-47(37)39-23-9-13-29-43(39)49(45)41-27-11-7-21-35(41)33-18-4-5-19-33/h1-4,6-31H
InChIKeyHUPMPYMJMMWMDF-UHFFFAOYSA-N
MW622.77 g/mol
LogP12.32
Rot. Bonds5

About 4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole

4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole (PubChem CID 155588416) has the molecular formula C47H30N2 and a molecular weight of 622.77 g/mol. Its IUPAC name is 4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole
PubChem CID155588416
Molecular FormulaC47H30N2
Molecular Weight622.77 g/mol
Exact Mass622.24
IUPAC Name4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole
SMILESC1=CC=C(c2ccccc2-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4ccccc4-c4ccccc4)cccc32)C=1
InChIInChI=1S/C47H30N2/c1-2-16-32(17-3-1)34-20-6-10-26-40(34)48-42-28-12-8-22-38(42)46-36(24-14-30-44(46)48)37-25-15-31-45-47(37)39-23-9-13-29-43(39)49(45)41-27-11-7-21-35(41)33-18-4-5-19-33/h1-4,6-31H
InChIKeyHUPMPYMJMMWMDF-UHFFFAOYSA-N
XLogP12.32
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
4-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole
CID 170093407
4-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454723
9,14-bis[2-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 177063693
9-[2-(5,9-diphenylcarbazol-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824343
5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole
CID 171596813
4-(3-phenylphenyl)-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 171458634
4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032359
9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole
CID 165386118
4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole
CID 146262872
triphenyl-[9-[5-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazol-4-yl]silane
CID 171458587

Frequently Asked Questions

What is the IUPAC name of 4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole?
The IUPAC name of 4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole (CID 155588416) is 4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole is C1=CC=C(c2ccccc2-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4ccccc4-c4ccccc4)cccc32)C=1.
What is the InChIKey of 4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole?
The InChIKey is HUPMPYMJMMWMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2/c1-2-16-32(17-3-1)34-20-6-10-26-40(34)48-42-28-12-8-22-38(42)46-36(24-14-30-44(46)48)37-25-15-31-45-47(37)39-23-9-13-29-43(39)49(45)41-27-11-7-21-35(41)33-18-4-5-19-33/h1-4,6-31H.
What are the key properties of 4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole?
4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole has a molecular weight of 622.77 g/mol, XLogP of 12.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(2-cyclopenta-1,3,4-trien-1-ylphenyl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 155588416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).