N-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine

C52H34N2O — CID 166847744

IUPACN-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5cc6c7ccccc7n(-c7ccccc7)c6cc5c4)c3)c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C52H34N2O/c1-3-13-35(14-4-1)36-15-11-19-42(30-36)53(44-27-28-52-48(34-44)46-22-8-10-24-51(46)55-52)43-20-12-16-37(31-43)38-25-26-39-32-47-45-21-7-9-23-49(45)54(41-17-5-2-6-18-41)50(47)33-40(39)29-38/h1-34H
InChIKeyDPJGXNYWKAUFEL-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About N-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine

N-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine (PubChem CID 166847744) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
PubChem CID166847744
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5cc6c7ccccc7n(-c7ccccc7)c6cc5c4)c3)c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C52H34N2O/c1-3-13-35(14-4-1)36-15-11-19-42(30-36)53(44-27-28-52-48(34-44)46-22-8-10-24-51(46)55-52)43-20-12-16-37(31-43)38-25-26-39-32-47-45-21-7-9-23-49(45)54(41-17-5-2-6-18-41)50(47)33-40(39)29-38/h1-34H
InChIKeyDPJGXNYWKAUFEL-UHFFFAOYSA-N
XLogP14.64
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 163536475
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 58510646
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 121260620
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170033937
7-N,19-N-di(dibenzofuran-2-yl)-19-N-[7-[4-[3-(N-[4-(10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-yl)phenyl]anilino)carbazol-9-yl]phenyl]-9-phenylcarbazol-2-yl]-7-N-(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 166829778
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170779636
3-N-dibenzofuran-2-yl-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176781523
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033894
1-N-phenyl-3-N-[7-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 149038189

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine (CID 166847744) is N-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccc5cc6c7ccccc7n(-c7ccccc7)c6cc5c4)c3)c3ccc4oc5ccccc5c4c3)c2)cc1.
What is the InChIKey of N-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is DPJGXNYWKAUFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-3-13-35(14-4-1)36-15-11-19-42(30-36)53(44-27-28-52-48(34-44)46-22-8-10-24-51(46)55-52)43-20-12-16-37(31-43)38-25-26-39-32-47-45-21-7-9-23-49(45)54(41-17-5-2-6-18-41)50(47)33-40(39)29-38/h1-34H.
What are the key properties of N-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine?
N-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 702.86 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 166847744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).