N-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine

C39H25N3O — CID 170177421

IUPACN-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine
SMILESc1ccc(N(c2cccc(-n3c4ccccc4c4c5ccccc5ccc43)c2)c2nccc3c2oc2ccccc23)cc1
InChIInChI=1S/C39H25N3O/c1-2-12-27(13-3-1)41(39-38-32(23-24-40-39)31-17-7-9-20-36(31)43-38)28-14-10-15-29(25-28)42-34-19-8-6-18-33(34)37-30-16-5-4-11-26(30)21-22-35(37)42/h1-25H
InChIKeyRHXRMUKYAYUCKK-UHFFFAOYSA-N
MW551.65 g/mol
LogP10.70
Rot. Bonds4

About N-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine

N-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine (PubChem CID 170177421) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is N-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine.

Molecular Properties

Compound NameN-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine
PubChem CID170177421
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC NameN-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine
SMILESc1ccc(N(c2cccc(-n3c4ccccc4c4c5ccccc5ccc43)c2)c2nccc3c2oc2ccccc23)cc1
InChIInChI=1S/C39H25N3O/c1-2-12-27(13-3-1)41(39-38-32(23-24-40-39)31-17-7-9-20-36(31)43-38)28-14-10-15-29(25-28)42-34-19-8-6-18-33(34)37-30-16-5-4-11-26(30)21-22-35(37)42/h1-25H
InChIKeyRHXRMUKYAYUCKK-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-(3-benzo[b]carbazol-5-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine
CID 170177369
3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline
CID 170177363
N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine
CID 163942199
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 170926661
12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 118502832
N-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine
CID 170177302
N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine
CID 166860628
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158979073
N-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine
CID 166861629
N-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine
CID 170177399
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-dinaphthalen-2-yl-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163652671
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972

Frequently Asked Questions

What is the IUPAC name of N-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine?
The IUPAC name of N-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine (CID 170177421) is N-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine.
What is the SMILES notation for N-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine?
The canonical SMILES for N-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine is c1ccc(N(c2cccc(-n3c4ccccc4c4c5ccccc5ccc43)c2)c2nccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine?
The InChIKey is RHXRMUKYAYUCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c1-2-12-27(13-3-1)41(39-38-32(23-24-40-39)31-17-7-9-20-36(31)43-38)28-14-10-15-29(25-28)42-34-19-8-6-18-33(34)37-30-16-5-4-11-26(30)21-22-35(37)42/h1-25H.
What are the key properties of N-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine?
N-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-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-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine is sourced from PubChem (CID 170177421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).