N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine

C48H33N3O — CID 90050696

IUPACN,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc5oc6ccccc6c5cc43)cc2)cc1
InChIInChI=1S/C48H33N3O/c1-5-15-34(16-6-1)49(35-17-7-2-8-18-35)38-25-27-39(28-26-38)51-45-30-29-40(50(36-19-9-3-10-20-36)37-21-11-4-12-22-37)31-42(45)43-33-48-44(32-46(43)51)41-23-13-14-24-47(41)52-48/h1-33H
InChIKeyGYVBWXMUHORVAY-UHFFFAOYSA-N
MW667.81 g/mol
LogP13.62
Rot. Bonds7

About N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine

N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine (PubChem CID 90050696) has the molecular formula C48H33N3O and a molecular weight of 667.81 g/mol. Its IUPAC name is N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine.

Molecular Properties

Compound NameN,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine
PubChem CID90050696
Molecular FormulaC48H33N3O
Molecular Weight667.81 g/mol
Exact Mass667.26
IUPAC NameN,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc5oc6ccccc6c5cc43)cc2)cc1
InChIInChI=1S/C48H33N3O/c1-5-15-34(16-6-1)49(35-17-7-2-8-18-35)38-25-27-39(28-26-38)51-45-30-29-40(50(36-19-9-3-10-20-36)37-21-11-4-12-22-37)31-42(45)43-33-48-44(32-46(43)51)41-23-13-14-24-47(41)52-48/h1-33H
InChIKeyGYVBWXMUHORVAY-UHFFFAOYSA-N
XLogP13.62
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164572
N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402366
2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one
CID 142288898
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
5-[7-(N-dibenzofuran-2-ylanilino)-9-phenylcarbazol-3-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588588
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-N,N-diphenylaniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine
CID 159949302
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
N-[4-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 90194656
3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine
CID 137471523

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine?
The IUPAC name of N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine (CID 90050696) is N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine.
What is the SMILES notation for N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine?
The canonical SMILES for N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine is c1ccc(N(c2ccccc2)c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc5oc6ccccc6c5cc43)cc2)cc1.
What is the InChIKey of N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine?
The InChIKey is GYVBWXMUHORVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O/c1-5-15-34(16-6-1)49(35-17-7-2-8-18-35)38-25-27-39(28-26-38)51-45-30-29-40(50(36-19-9-3-10-20-36)37-21-11-4-12-22-37)31-42(45)43-33-48-44(32-46(43)51)41-23-13-14-24-47(41)52-48/h1-33H.
What are the key properties of N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine?
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine has a molecular weight of 667.81 g/mol, XLogP of 13.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine is sourced from PubChem (CID 90050696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).