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

C60H40N2 — CID 89408652

IUPAC9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole
SMILESc1ccc(-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccccc3)c(-c3ccccc3)c(-n3c4ccccc4c4ccccc43)c2-c2ccccc2)cc1
InChIInChI=1S/C60H40N2/c1-5-21-41(22-6-1)56-55(45-37-39-46(40-38-45)61-51-33-17-13-29-47(51)48-30-14-18-34-52(48)61)57(42-23-7-2-8-24-42)59(44-27-11-4-12-28-44)60(58(56)43-25-9-3-10-26-43)62-53-35-19-15-31-49(53)50-32-16-20-36-54(50)62/h1-40H
InChIKeyBOOUHLINUHDNIN-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.22
Rot. Bonds7

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

9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole (PubChem CID 89408652) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole
PubChem CID89408652
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole
SMILESc1ccc(-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccccc3)c(-c3ccccc3)c(-n3c4ccccc4c4ccccc43)c2-c2ccccc2)cc1
InChIInChI=1S/C60H40N2/c1-5-21-41(22-6-1)56-55(45-37-39-46(40-38-45)61-51-33-17-13-29-47(51)48-30-14-18-34-52(48)61)57(42-23-7-2-8-24-42)59(44-27-11-4-12-28-44)60(58(56)43-25-9-3-10-26-43)62-53-35-19-15-31-49(53)50-32-16-20-36-54(50)62/h1-40H
InChIKeyBOOUHLINUHDNIN-UHFFFAOYSA-N
XLogP16.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[2-(4-bromophenyl)-3,4,5,6-tetraphenylphenyl]carbazole
CID 134517217
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
3-[2,4-di(carbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 137369037
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-tetramethylphenyl]phenyl]carbazole
CID 58939501
4-[2,4,6-tri(carbazol-9-yl)-3-(4-cyanophenyl)-5-phenylphenyl]benzonitrile
CID 135135987
9-[4-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-yl]carbazole;9-[4-[4-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]carbazole;9-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]carbazole
CID 159108089
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorophenyl]phenyl]carbazole
CID 102109316
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
5-[2,4,6-tri(carbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 135135988

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole?
The IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole (CID 89408652) is 9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole.
What is the SMILES notation for 9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole?
The canonical SMILES for 9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole is c1ccc(-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccccc3)c(-c3ccccc3)c(-n3c4ccccc4c4ccccc43)c2-c2ccccc2)cc1.
What is the InChIKey of 9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole?
The InChIKey is BOOUHLINUHDNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-5-21-41(22-6-1)56-55(45-37-39-46(40-38-45)61-51-33-17-13-29-47(51)48-30-14-18-34-52(48)61)57(42-23-7-2-8-24-42)59(44-27-11-4-12-28-44)60(58(56)43-25-9-3-10-26-43)62-53-35-19-15-31-49(53)50-32-16-20-36-54(50)62/h1-40H.
What are the key properties of 9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole?
9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole has a molecular weight of 788.99 g/mol, XLogP of 16.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole is sourced from PubChem (CID 89408652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).