9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole

C42H27NO — CID 163638937

IUPAC9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole
SMILESc1ccc2c(c1)oc1cccc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)c12
InChIInChI=1S/C42H27NO/c1-4-12-38-35(8-1)36-9-2-5-13-39(36)43(38)33-26-24-31(25-27-33)29-18-16-28(17-19-29)30-20-22-32(23-21-30)34-11-7-15-41-42(34)37-10-3-6-14-40(37)44-41/h1-27H
InChIKeyQTXNMFVGMPCFEP-UHFFFAOYSA-N
MW561.68 g/mol
LogP11.68
Rot. Bonds4

About 9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole

9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole (PubChem CID 163638937) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is 9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole
PubChem CID163638937
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC Name9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole
SMILESc1ccc2c(c1)oc1cccc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)c12
InChIInChI=1S/C42H27NO/c1-4-12-38-35(8-1)36-9-2-5-13-39(36)43(38)33-26-24-31(25-27-33)29-18-16-28(17-19-29)30-20-22-32(23-21-30)34-11-7-15-41-42(34)37-10-3-6-14-40(37)44-41/h1-27H
InChIKeyQTXNMFVGMPCFEP-UHFFFAOYSA-N
XLogP11.68
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 167329299
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-1-phenylcarbazole
CID 163433245
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398444
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3,6-dimethylcarbazole
CID 163433244
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)aniline
CID 155397977
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398224
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649256
N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline
CID 149051843
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155397994
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-phenylaniline
CID 155398130
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline
CID 155398018

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole (CID 163638937) is 9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole is c1ccc2c(c1)oc1cccc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)c12.
What is the InChIKey of 9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole?
The InChIKey is QTXNMFVGMPCFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-4-12-38-35(8-1)36-9-2-5-13-39(36)43(38)33-26-24-31(25-27-33)29-18-16-28(17-19-29)30-20-22-32(23-21-30)34-11-7-15-41-42(34)37-10-3-6-14-40(37)44-41/h1-27H.
What are the key properties of 9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole?
9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole has a molecular weight of 561.68 g/mol, XLogP of 11.68, 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-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 163638937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).