N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine

C46H30N2O — CID 166847754

IUPACN-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccc5c6ccccc6n(-c6ccccc6)c5c4c3)c2)cc1
InChIInChI=1S/C46H30N2O/c1-3-12-31(13-4-1)33-14-11-17-35(28-33)47(37-25-27-40-39-19-8-10-21-44(39)49-45(40)30-37)36-24-22-32-23-26-41-38-18-7-9-20-43(38)48(46(41)42(32)29-36)34-15-5-2-6-16-34/h1-30H
InChIKeyIRBCPHLOJCWUCF-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.97
Rot. Bonds5

About N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine

N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine (PubChem CID 166847754) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
PubChem CID166847754
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC NameN-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccc5c6ccccc6n(-c6ccccc6)c5c4c3)c2)cc1
InChIInChI=1S/C46H30N2O/c1-3-12-31(13-4-1)33-14-11-17-35(28-33)47(37-25-27-40-39-19-8-10-21-44(39)49-45(40)30-37)36-24-22-32-23-26-41-38-18-7-9-20-43(38)48(46(41)42(32)29-36)34-15-5-2-6-16-34/h1-30H
InChIKeyIRBCPHLOJCWUCF-UHFFFAOYSA-N
XLogP12.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 166847504
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168781443
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
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
11-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)benzo[a]carbazol-2-amine;11-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]carbazol-2-amine;7-(11-phenylbenzo[a]carbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-phenyl-11-(4-phenylphenyl)-N-triphenylen-2-ylbenzo[a]carbazol-3-amine
CID 159992159
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168781835
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 168782026
N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168781725
3-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)-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(3-phenylphenyl)benzene-1,3-diamine
CID 170779241
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-3-amine
CID 168781831

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine (CID 166847754) is N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccc5c6ccccc6n(-c6ccccc6)c5c4c3)c2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine?
The InChIKey is IRBCPHLOJCWUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-3-12-31(13-4-1)33-14-11-17-35(28-33)47(37-25-27-40-39-19-8-10-21-44(39)49-45(40)30-37)36-24-22-32-23-26-41-38-18-7-9-20-43(38)48(46(41)42(32)29-36)34-15-5-2-6-16-34/h1-30H.
What are the key properties of N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine?
N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine has a molecular weight of 626.76 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine is sourced from PubChem (CID 166847754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).