N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine

C55H35N3O — CID 170177075

IUPACN-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)cc3)c3ccc(-c4cccc5oc6cccnc6c45)cc3)ccc2c1
InChIInChI=1S/C55H35N3O/c1-2-11-41-35-45(32-22-36(41)9-1)57(43-30-23-40(24-31-43)46-14-7-16-51-53(46)54-52(59-51)17-8-34-56-54)42-26-18-37(19-27-42)38-20-28-44(29-21-38)58-50-15-6-5-13-48(50)49-33-25-39-10-3-4-12-47(39)55(49)58/h1-35H
InChIKeyOSFGZMWDHORQAG-UHFFFAOYSA-N
MW753.91 g/mol
LogP15.19
Rot. Bonds6

About N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine

N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine (PubChem CID 170177075) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine
PubChem CID170177075
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC NameN-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)cc3)c3ccc(-c4cccc5oc6cccnc6c45)cc3)ccc2c1
InChIInChI=1S/C55H35N3O/c1-2-11-41-35-45(32-22-36(41)9-1)57(43-30-23-40(24-31-43)46-14-7-16-51-53(46)54-52(59-51)17-8-34-56-54)42-26-18-37(19-27-42)38-20-28-44(29-21-38)58-50-15-6-5-13-48(50)49-33-25-39-10-3-4-12-47(39)55(49)58/h1-35H
InChIKeyOSFGZMWDHORQAG-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-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine
CID 170177584
4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 170177041
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-11-phenylbenzo[a]carbazol-3-amine
CID 155034759
7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170363156
N-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine
CID 170177231
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155397994
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 168781705
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]naphthalen-2-amine
CID 155649331
N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805504
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-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-3-amine
CID 168781831
N-(4-benzo[a]carbazol-11-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038330

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine?
The IUPAC name of 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) is N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine is c1ccc2cc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)cc3)c3ccc(-c4cccc5oc6cccnc6c45)cc3)ccc2c1.
What is the InChIKey of N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine?
The InChIKey is OSFGZMWDHORQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c1-2-11-41-35-45(32-22-36(41)9-1)57(43-30-23-40(24-31-43)46-14-7-16-51-53(46)54-52(59-51)17-8-34-56-54)42-26-18-37(19-27-42)38-20-28-44(29-21-38)58-50-15-6-5-13-48(50)49-33-25-39-10-3-4-12-47(39)55(49)58/h1-35H.
What are the key properties of N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine?
N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-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-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170177075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).