N-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine

C39H25N3O — CID 170177471

IUPACN-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccc5ccccc5c43)cc2)c2cc3c(cn2)oc2ccccc23)cc1
InChIInChI=1S/C39H25N3O/c1-2-11-27(12-3-1)41(38-24-34-32-15-7-9-17-36(32)43-37(34)25-40-38)28-19-21-29(22-20-28)42-35-16-8-6-14-31(35)33-23-18-26-10-4-5-13-30(26)39(33)42/h1-25H
InChIKeyORGKSFCPETUFIX-UHFFFAOYSA-N
MW551.65 g/mol
LogP10.70
Rot. Bonds4

About N-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine

N-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine (PubChem CID 170177471) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is N-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine
PubChem CID170177471
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC NameN-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccc5ccccc5c43)cc2)c2cc3c(cn2)oc2ccccc23)cc1
InChIInChI=1S/C39H25N3O/c1-2-11-27(12-3-1)41(38-24-34-32-15-7-9-17-36(32)43-37(34)25-40-38)28-19-21-29(22-20-28)42-35-16-8-6-14-31(35)33-23-18-26-10-4-5-13-30(26)39(33)42/h1-25H
InChIKeyORGKSFCPETUFIX-UHFFFAOYSA-N
XLogP10.70
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168781922
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 168782026
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine
CID 168738145
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-11-phenylbenzo[a]carbazol-3-amine
CID 155034759
5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
CID 164813180
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-(3-phenylphenyl)dibenzofuran-3-amine
CID 166847504
N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 166847754
N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168781725
N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 140913945
N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine
CID 167243662
N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 140913685

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine?
The IUPAC name of N-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine (CID 170177471) is N-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine.
What is the SMILES notation for N-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine?
The canonical SMILES for N-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4ccc5ccccc5c43)cc2)c2cc3c(cn2)oc2ccccc23)cc1.
What is the InChIKey of N-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine?
The InChIKey is ORGKSFCPETUFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c1-2-11-27(12-3-1)41(38-24-34-32-15-7-9-17-36(32)43-37(34)25-40-38)28-19-21-29(22-20-28)42-35-16-8-6-14-31(35)33-23-18-26-10-4-5-13-30(26)39(33)42/h1-25H.
What are the key properties of N-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine?
N-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine has a molecular weight of 551.65 g/mol, XLogP of 10.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[a]carbazol-11-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-3-amine is sourced from PubChem (CID 170177471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).