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

C49H31N3O — CID 170177302

IUPACN-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine
SMILESc1cc(-c2cccc(-n3c4ccccc4c4c5ccccc5ccc43)c2)cc(N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2cccnc23)c1
InChIInChI=1S/C49H31N3O/c1-2-12-34-28-39(23-21-32(34)10-1)51(40-24-25-43-47(31-40)53-46-20-9-27-50-49(43)46)37-15-7-13-35(29-37)36-14-8-16-38(30-36)52-44-19-6-5-18-42(44)48-41-17-4-3-11-33(41)22-26-45(48)52/h1-31H
InChIKeyYMFZVZIFRMQDBW-UHFFFAOYSA-N
MW677.81 g/mol
LogP13.52
Rot. Bonds5

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

N-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine (PubChem CID 170177302) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is N-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine
PubChem CID170177302
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC NameN-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine
SMILESc1cc(-c2cccc(-n3c4ccccc4c4c5ccccc5ccc43)c2)cc(N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2cccnc23)c1
InChIInChI=1S/C49H31N3O/c1-2-12-34-28-39(23-21-32(34)10-1)51(40-24-25-43-47(31-40)53-46-20-9-27-50-49(43)46)37-15-7-13-35(29-37)36-14-8-16-38(30-36)52-44-19-6-5-18-42(44)48-41-17-4-3-11-33(41)22-26-45(48)52/h1-31H
InChIKeyYMFZVZIFRMQDBW-UHFFFAOYSA-N
XLogP13.52
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine
CID 170177252
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 153315011
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 146578847
N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine
CID 170177320
N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine
CID 166861055
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzofuran-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 163939327
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-2-amine
CID 153315025
N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 138468062
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 129085108
N-[3-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177101252
3-carbazol-9-yl-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578380
N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155398285

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine?
The IUPAC name of N-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine (CID 170177302) is N-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine?
The canonical SMILES for N-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine is c1cc(-c2cccc(-n3c4ccccc4c4c5ccccc5ccc43)c2)cc(N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2cccnc23)c1.
What is the InChIKey of N-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine?
The InChIKey is YMFZVZIFRMQDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-2-12-34-28-39(23-21-32(34)10-1)51(40-24-25-43-47(31-40)53-46-20-9-27-50-49(43)46)37-15-7-13-35(29-37)36-14-8-16-38(30-36)52-44-19-6-5-18-42(44)48-41-17-4-3-11-33(41)22-26-45(48)52/h1-31H.
What are the key properties of N-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine?
N-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine has a molecular weight of 677.81 g/mol, XLogP of 13.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine is sourced from PubChem (CID 170177302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).