9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole

C44H34N2 — CID 71097259

IUPAC9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
SMILESCc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C)cc1-c1ccc(-n2c3c(c4ccccc42)CCC=C3)cc1
InChIInChI=1S/C44H34N2/c1-29-27-40(32-21-25-34(26-22-32)46-43-17-9-5-13-37(43)38-14-6-10-18-44(38)46)30(2)28-39(29)31-19-23-33(24-20-31)45-41-15-7-3-11-35(41)36-12-4-8-16-42(36)45/h3-5,7-13,15-28H,6,14H2,1-2H3
InChIKeyQICIBMKMFIJDRW-UHFFFAOYSA-N
MW590.77 g/mol
LogP11.64
Rot. Bonds4

About 9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole

9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole (PubChem CID 71097259) has the molecular formula C44H34N2 and a molecular weight of 590.77 g/mol. Its IUPAC name is 9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
PubChem CID71097259
Molecular FormulaC44H34N2
Molecular Weight590.77 g/mol
Exact Mass590.27
IUPAC Name9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
SMILESCc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C)cc1-c1ccc(-n2c3c(c4ccccc42)CCC=C3)cc1
InChIInChI=1S/C44H34N2/c1-29-27-40(32-21-25-34(26-22-32)46-43-17-9-5-13-37(43)38-14-6-10-18-44(38)46)30(2)28-39(29)31-19-23-33(24-20-31)45-41-15-7-3-11-35(41)36-12-4-8-16-42(36)45/h3-5,7-13,15-28H,6,14H2,1-2H3
InChIKeyQICIBMKMFIJDRW-UHFFFAOYSA-N
XLogP11.64
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine
CID 71024477
9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole
CID 146232531
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CID 130371057
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
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CID 147490956
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 89338237

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole (CID 71097259) is 9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole is Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C)cc1-c1ccc(-n2c3c(c4ccccc42)CCC=C3)cc1.
What is the InChIKey of 9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole?
The InChIKey is QICIBMKMFIJDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2/c1-29-27-40(32-21-25-34(26-22-32)46-43-17-9-5-13-37(43)38-14-6-10-18-44(38)46)30(2)28-39(29)31-19-23-33(24-20-31)45-41-15-7-3-11-35(41)36-12-4-8-16-42(36)45/h3-5,7-13,15-28H,6,14H2,1-2H3.
What are the key properties of 9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole?
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole has a molecular weight of 590.77 g/mol, XLogP of 11.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole is sourced from PubChem (CID 71097259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).