9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole

C46H36N2 — CID 58939501

IUPAC9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
SMILESCc1c(C)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C)c(C)c1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C46H36N2/c1-29-30(2)46(34-23-27-36(28-24-34)48-43-19-11-7-15-39(43)40-16-8-12-20-44(40)48)32(4)31(3)45(29)33-21-25-35(26-22-33)47-41-17-9-5-13-37(41)38-14-6-10-18-42(38)47/h5-28H,1-4H3
InChIKeyQITXVFHYYOYQAS-UHFFFAOYSA-N
MW616.81 g/mol
LogP12.45
Rot. Bonds4

About 9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole

9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole (PubChem CID 58939501) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is 9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
PubChem CID58939501
Molecular FormulaC46H36N2
Molecular Weight616.81 g/mol
Exact Mass616.29
IUPAC Name9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
SMILESCc1c(C)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C)c(C)c1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C46H36N2/c1-29-30(2)46(34-23-27-36(28-24-34)48-43-19-11-7-15-39(43)40-16-8-12-20-44(40)48)32(4)31(3)45(29)33-21-25-35(26-22-33)47-41-17-9-5-13-37(41)38-14-6-10-18-42(38)47/h5-28H,1-4H3
InChIKeyQITXVFHYYOYQAS-UHFFFAOYSA-N
XLogP12.45
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorophenyl]phenyl]carbazole
CID 102109316
9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991790
[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane
CID 143123585
12,26-bis(4-methylphenyl)-2,16-diphenyl-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6,8,10,13,16,18,20,22,24,27-tridecaene
CID 123155033
9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 162257704
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole
CID 89408652
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole (CID 58939501) is 9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole is Cc1c(C)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C)c(C)c1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole?
The InChIKey is QITXVFHYYOYQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2/c1-29-30(2)46(34-23-27-36(28-24-34)48-43-19-11-7-15-39(43)40-16-8-12-20-44(40)48)32(4)31(3)45(29)33-21-25-35(26-22-33)47-41-17-9-5-13-37(41)38-14-6-10-18-42(38)47/h5-28H,1-4H3.
What are the key properties of 9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole?
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole has a molecular weight of 616.81 g/mol, XLogP of 12.45, 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-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole is sourced from PubChem (CID 58939501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).