N-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine

C48H30FN3O — CID 138548961

IUPACN-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine
SMILESFc1cccc(-n2c3ccccc3c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c32)c1
InChIInChI=1S/C48H30FN3O/c49-31-12-10-15-33(28-31)52-43-21-8-4-16-36(43)39-19-11-22-45(48(39)52)50(35-25-27-47-41(30-35)38-18-6-9-23-46(38)53-47)34-24-26-44-40(29-34)37-17-5-7-20-42(37)51(44)32-13-2-1-3-14-32/h1-30H
InChIKeyXZKWPHSTYOJSBV-UHFFFAOYSA-N
MW683.79 g/mol
LogP13.39
Rot. Bonds5

About N-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine

N-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine (PubChem CID 138548961) has the molecular formula C48H30FN3O and a molecular weight of 683.79 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine
PubChem CID138548961
Molecular FormulaC48H30FN3O
Molecular Weight683.79 g/mol
Exact Mass683.24
IUPAC NameN-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine
SMILESFc1cccc(-n2c3ccccc3c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c32)c1
InChIInChI=1S/C48H30FN3O/c49-31-12-10-15-33(28-31)52-43-21-8-4-16-36(43)39-19-11-22-45(48(39)52)50(35-25-27-47-41(30-35)38-18-6-9-23-46(38)53-47)34-24-26-44-40(29-34)37-17-5-7-20-42(37)51(44)32-13-2-1-3-14-32/h1-30H
InChIKeyXZKWPHSTYOJSBV-UHFFFAOYSA-N
XLogP13.39
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.79
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine
CID 138549038
N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
CID 138548951
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
CID 138549018
N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 138549015
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042216
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503040
N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
CID 170138950
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167125018
N-(9,9-dimethylfluoren-2-yl)-N-[9-(3-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-1-amine;N-(9,9-dimethylfluoren-2-yl)-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine;N-(3-fluorophenyl)-9-(3-phenylphenyl)-N-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-amine
CID 159878639
N-dibenzofuran-1-yl-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 138717110
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine?
The IUPAC name of N-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine (CID 138548961) is N-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine?
The canonical SMILES for N-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine is Fc1cccc(-n2c3ccccc3c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c32)c1.
What is the InChIKey of N-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine?
The InChIKey is XZKWPHSTYOJSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30FN3O/c49-31-12-10-15-33(28-31)52-43-21-8-4-16-36(43)39-19-11-22-45(48(39)52)50(35-25-27-47-41(30-35)38-18-6-9-23-46(38)53-47)34-24-26-44-40(29-34)37-17-5-7-20-42(37)51(44)32-13-2-1-3-14-32/h1-30H.
What are the key properties of N-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine?
N-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine has a molecular weight of 683.79 g/mol, XLogP of 13.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine is sourced from PubChem (CID 138548961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).