5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine

C114H80N6O2 — CID 163798364

IUPAC5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESC1=CCCC(N(c2ccccc2)c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc3)cc(N(c3ccccc3)c3cccc(C4=CCC(c5ccc(N(c6ccccc6)c6cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cc(-n7c8ccccc8c8cc9c(cc87)oc7ccccc79)c6)cc5)C=C4)c3)c2)=C1
InChIInChI=1S/C114H80N6O2/c1-7-28-77(29-8-1)79-54-60-90(61-55-79)116(87-35-13-4-14-36-87)96-70-97(72-98(71-96)120-108-47-24-20-43-100(108)104-74-106-102-45-22-26-49-112(102)122-114(106)76-110(104)120)117(88-37-15-5-16-38-88)91-62-56-80(57-63-91)78-50-52-81(53-51-78)83-30-27-41-93(66-83)118(89-39-17-6-18-40-89)95-68-84(67-94(69-95)115(85-31-9-2-10-32-85)86-33-11-3-12-34-86)82-58-64-92(65-59-82)119-107-46-23-19-42-99(107)103-73-105-101-44-21-25-48-111(101)121-113(105)75-109(103)119/h1-11,13-33,35-50,52-76,78H,12,34,51H2
InChIKeyNCUKXYQTRSNTEE-UHFFFAOYSA-N
MW1565.93 g/mol
LogP31.92
Rot. Bonds18

About 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine

5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine (PubChem CID 163798364) has the molecular formula C114H80N6O2 and a molecular weight of 1565.93 g/mol. Its IUPAC name is 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine
PubChem CID163798364
Molecular FormulaC114H80N6O2
Molecular Weight1565.93 g/mol
Exact Mass1564.63
IUPAC Name5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESC1=CCCC(N(c2ccccc2)c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc3)cc(N(c3ccccc3)c3cccc(C4=CCC(c5ccc(N(c6ccccc6)c6cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cc(-n7c8ccccc8c8cc9c(cc87)oc7ccccc79)c6)cc5)C=C4)c3)c2)=C1
InChIInChI=1S/C114H80N6O2/c1-7-28-77(29-8-1)79-54-60-90(61-55-79)116(87-35-13-4-14-36-87)96-70-97(72-98(71-96)120-108-47-24-20-43-100(108)104-74-106-102-45-22-26-49-112(102)122-114(106)76-110(104)120)117(88-37-15-5-16-38-88)91-62-56-80(57-63-91)78-50-52-81(53-51-78)83-30-27-41-93(66-83)118(89-39-17-6-18-40-89)95-68-84(67-94(69-95)115(85-31-9-2-10-32-85)86-33-11-3-12-34-86)82-58-64-92(65-59-82)119-107-46-23-19-42-99(107)103-73-105-101-44-21-25-48-111(101)121-113(105)75-109(103)119/h1-11,13-33,35-50,52-76,78H,12,34,51H2
InChIKeyNCUKXYQTRSNTEE-UHFFFAOYSA-N
XLogP31.92
TPSA49.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001565.93
LogP ≤ 531.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine with MolForge

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Related Compounds

5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 90252504
N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline
CID 166723421
N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 118405567
N,N,9-triphenyl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-2-amine
CID 130241442
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
3-N-dibenzofuran-2-yl-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176781523
N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine
CID 175631019
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine
CID 90207063
N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 167278207
5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118605166
2-N-cyclohexa-1,3-dien-1-yl-8-N-phenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 135189546
3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 121443777

Frequently Asked Questions

What is the IUPAC name of 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine (CID 163798364) is 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine is C1=CCCC(N(c2ccccc2)c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc3)cc(N(c3ccccc3)c3cccc(C4=CCC(c5ccc(N(c6ccccc6)c6cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cc(-n7c8ccccc8c8cc9c(cc87)oc7ccccc79)c6)cc5)C=C4)c3)c2)=C1.
What is the InChIKey of 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine?
The InChIKey is NCUKXYQTRSNTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H80N6O2/c1-7-28-77(29-8-1)79-54-60-90(61-55-79)116(87-35-13-4-14-36-87)96-70-97(72-98(71-96)120-108-47-24-20-43-100(108)104-74-106-102-45-22-26-49-112(102)122-114(106)76-110(104)120)117(88-37-15-5-16-38-88)91-62-56-80(57-63-91)78-50-52-81(53-51-78)83-30-27-41-93(66-83)118(89-39-17-6-18-40-89)95-68-84(67-94(69-95)115(85-31-9-2-10-32-85)86-33-11-3-12-34-86)82-58-64-92(65-59-82)119-107-46-23-19-42-99(107)103-73-105-101-44-21-25-48-111(101)121-113(105)75-109(103)119/h1-11,13-33,35-50,52-76,78H,12,34,51H2.
What are the key properties of 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine?
5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine has a molecular weight of 1565.93 g/mol, XLogP of 31.92, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 163798364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).