N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine

C60H41N3O — CID 90050679

IUPACN,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc(-n5c6cc(N(c7ccccc7)c7ccccc7)ccc6c6c7oc8ccccc8c7ccc65)cc4)c3)cc2)cc1
InChIInChI=1S/C60H41N3O/c1-5-16-42(17-6-1)43-28-30-44(31-29-43)45-18-15-25-51(40-45)62(48-23-11-4-12-24-48)49-32-34-50(35-33-49)63-56-39-38-54-53-26-13-14-27-58(53)64-60(54)59(56)55-37-36-52(41-57(55)63)61(46-19-7-2-8-20-46)47-21-9-3-10-22-47/h1-41H
InChIKeyUKOQWQMKMXRFMI-UHFFFAOYSA-N
MW820.01 g/mol
LogP16.96
Rot. Bonds9

About N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine

N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine (PubChem CID 90050679) has the molecular formula C60H41N3O and a molecular weight of 820.01 g/mol. Its IUPAC name is N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine
PubChem CID90050679
Molecular FormulaC60H41N3O
Molecular Weight820.01 g/mol
Exact Mass819.32
IUPAC NameN,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc(-n5c6cc(N(c7ccccc7)c7ccccc7)ccc6c6c7oc8ccccc8c7ccc65)cc4)c3)cc2)cc1
InChIInChI=1S/C60H41N3O/c1-5-16-42(17-6-1)43-28-30-44(31-29-43)45-18-15-25-51(40-45)62(48-23-11-4-12-24-48)49-32-34-50(35-33-49)63-56-39-38-54-53-26-13-14-27-58(53)64-60(54)59(56)55-37-36-52(41-57(55)63)61(46-19-7-2-8-20-46)47-21-9-3-10-22-47/h1-41H
InChIKeyUKOQWQMKMXRFMI-UHFFFAOYSA-N
XLogP16.96
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.01
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N,4-diphenylaniline
CID 130230934
17-phenyl-34-(4-phenylphenyl)-6,23-dioxa-17,34-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene
CID 149105992
3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline
CID 161194033
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405432
3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121443658
3-dibenzofuran-4-yl-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 121443723
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814481
N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 89492134
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
9-dibenzofuran-2-yl-N-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 118333380
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine?
The IUPAC name of N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine (CID 90050679) is N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine.
What is the SMILES notation for N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine?
The canonical SMILES for N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc(-n5c6cc(N(c7ccccc7)c7ccccc7)ccc6c6c7oc8ccccc8c7ccc65)cc4)c3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine?
The InChIKey is UKOQWQMKMXRFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3O/c1-5-16-42(17-6-1)43-28-30-44(31-29-43)45-18-15-25-51(40-45)62(48-23-11-4-12-24-48)49-32-34-50(35-33-49)63-56-39-38-54-53-26-13-14-27-58(53)64-60(54)59(56)55-37-36-52(41-57(55)63)61(46-19-7-2-8-20-46)47-21-9-3-10-22-47/h1-41H.
What are the key properties of N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine?
N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine has a molecular weight of 820.01 g/mol, XLogP of 16.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine is sourced from PubChem (CID 90050679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).