4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine

C66H40N2O3 — CID 176609769

IUPAC4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3c2oc2ccccc23)c1
InChIInChI=1S/C66H40N2O3/c1-7-23-54-47(15-1)48-16-2-8-24-55(48)68(54)56-25-9-3-17-49(56)50-39-40-57(65-53-20-6-12-28-60(53)71-66(50)65)67(43-35-31-41(32-36-43)45-21-13-29-61-63(45)51-18-4-10-26-58(51)69-61)44-37-33-42(34-38-44)46-22-14-30-62-64(46)52-19-5-11-27-59(52)70-62/h1-40H
InChIKeyGFSQMBVVFPMKSV-UHFFFAOYSA-N
MW909.06 g/mol
LogP18.95
Rot. Bonds7

About 4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine

4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine (PubChem CID 176609769) has the molecular formula C66H40N2O3 and a molecular weight of 909.06 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine
PubChem CID176609769
Molecular FormulaC66H40N2O3
Molecular Weight909.06 g/mol
Exact Mass908.30
IUPAC Name4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3c2oc2ccccc23)c1
InChIInChI=1S/C66H40N2O3/c1-7-23-54-47(15-1)48-16-2-8-24-55(48)68(54)56-25-9-3-17-49(56)50-39-40-57(65-53-20-6-12-28-60(53)71-66(50)65)67(43-35-31-41(32-36-43)45-21-13-29-61-63(45)51-18-4-10-26-58(51)69-61)44-37-33-42(34-38-44)46-22-14-30-62-64(46)52-19-5-11-27-59(52)70-62/h1-40H
InChIKeyGFSQMBVVFPMKSV-UHFFFAOYSA-N
XLogP18.95
TPSA47.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.06
LogP ≤ 518.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 176609411
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608439
4-(2-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609204
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 176609409
4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176609311
4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176609415
4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176608759
4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609431
4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine
CID 176609461
N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline
CID 139544518
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-1-amine
CID 176608271
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine
CID 155398236

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine (CID 176609769) is 4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3c2oc2ccccc23)c1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine?
The InChIKey is GFSQMBVVFPMKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2O3/c1-7-23-54-47(15-1)48-16-2-8-24-55(48)68(54)56-25-9-3-17-49(56)50-39-40-57(65-53-20-6-12-28-60(53)71-66(50)65)67(43-35-31-41(32-36-43)45-21-13-29-61-63(45)51-18-4-10-26-58(51)69-61)44-37-33-42(34-38-44)46-22-14-30-62-64(46)52-19-5-11-27-59(52)70-62/h1-40H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine?
4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine has a molecular weight of 909.06 g/mol, XLogP of 18.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176609769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).