N-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine

C55H35N3O — CID 170177252

IUPACN-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine
SMILESc1cc(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)cc(N(c2ccc(-c3cccc4oc5ncccc5c34)cc2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C55H35N3O/c1-2-12-40-35-45(31-23-36(40)10-1)57(42-29-24-39(25-30-42)47-17-8-20-52-54(47)49-18-9-33-56-55(49)59-52)44-14-7-13-41(34-44)37-21-27-43(28-22-37)58-50-19-6-5-16-48(50)53-46-15-4-3-11-38(46)26-32-51(53)58/h1-35H
InChIKeyWUOIXYWGNQGEHH-UHFFFAOYSA-N
MW753.91 g/mol
LogP15.19
Rot. Bonds6

About N-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine

N-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine (PubChem CID 170177252) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is N-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine
PubChem CID170177252
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC NameN-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine
SMILESc1cc(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)cc(N(c2ccc(-c3cccc4oc5ncccc5c34)cc2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C55H35N3O/c1-2-12-40-35-45(31-23-36(40)10-1)57(42-29-24-39(25-30-42)47-17-8-20-52-54(47)49-18-9-33-56-55(49)59-52)44-14-7-13-41(34-44)37-21-27-43(28-22-37)58-50-19-6-5-16-48(50)53-46-15-4-3-11-38(46)26-32-51(53)58/h1-35H
InChIKeyWUOIXYWGNQGEHH-UHFFFAOYSA-N
XLogP15.19
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.91
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155397954
N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 138468062
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167038041
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-naphthalen-2-ylaniline
CID 155398374
N-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine
CID 170177302
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 170177249
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]naphthalen-2-amine
CID 155649331
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 170926661
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155397994
N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine
CID 169285156
N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine
CID 170177075
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155397942

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine?
The IUPAC name of 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) is N-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine is c1cc(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)cc(N(c2ccc(-c3cccc4oc5ncccc5c34)cc2)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine?
The InChIKey is WUOIXYWGNQGEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c1-2-12-40-35-45(31-23-36(40)10-1)57(42-29-24-39(25-30-42)47-17-8-20-52-54(47)49-18-9-33-56-55(49)59-52)44-14-7-13-41(34-44)37-21-27-43(28-22-37)58-50-19-6-5-16-48(50)53-46-15-4-3-11-38(46)26-32-51(53)58/h1-35H.
What are the key properties of N-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine?
N-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine has a molecular weight of 753.91 g/mol, XLogP of 15.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-[4-([1]benzofuro[2,3-b]pyridin-5-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170177252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).