9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine

C48H31FN2O — CID 165374513

IUPAC9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
SMILESFc1ccc(-n2c3ccccc3c3ccccc32)c2c1oc1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc12
InChIInChI=1S/C48H31FN2O/c49-42-29-30-45(51-43-17-9-7-15-39(43)40-16-8-10-18-44(40)51)47-41-28-27-38(31-46(41)52-48(42)47)50(36-23-19-34(20-24-36)32-11-3-1-4-12-32)37-25-21-35(22-26-37)33-13-5-2-6-14-33/h1-31H
InChIKeyIIQMUTCWAINVCA-UHFFFAOYSA-N
MW670.79 g/mol
LogP13.63
Rot. Bonds6

About 9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine

9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 165374513) has the molecular formula C48H31FN2O and a molecular weight of 670.79 g/mol. Its IUPAC name is 9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID165374513
Molecular FormulaC48H31FN2O
Molecular Weight670.79 g/mol
Exact Mass670.24
IUPAC Name9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
SMILESFc1ccc(-n2c3ccccc3c3ccccc32)c2c1oc1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc12
InChIInChI=1S/C48H31FN2O/c49-42-29-30-45(51-43-17-9-7-15-39(43)40-16-8-10-18-44(40)51)47-41-28-27-38(31-46(41)52-48(42)47)50(36-23-19-34(20-24-36)32-11-3-1-4-12-32)37-25-21-35(22-26-37)33-13-5-2-6-14-33/h1-31H
InChIKeyIIQMUTCWAINVCA-UHFFFAOYSA-N
XLogP13.63
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.79
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 165374648
[1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate
CID 162473535
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-amine
CID 165374573
3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline
CID 118505905
N,N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 171433676
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 142416213
N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168809142
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795870
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-[4-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 90207100

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine (CID 165374513) is 9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine is Fc1ccc(-n2c3ccccc3c3ccccc32)c2c1oc1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc12.
What is the InChIKey of 9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is IIQMUTCWAINVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31FN2O/c49-42-29-30-45(51-43-17-9-7-15-39(43)40-16-8-10-18-44(40)51)47-41-28-27-38(31-46(41)52-48(42)47)50(36-23-19-34(20-24-36)32-11-3-1-4-12-32)37-25-21-35(22-26-37)33-13-5-2-6-14-33/h1-31H.
What are the key properties of 9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 670.79 g/mol, XLogP of 13.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 165374513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).