5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine

C79H54N3P — CID 90295386

IUPAC5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2p3-c2cc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C4c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C79H54N3P/c1-7-23-54(24-8-1)57-39-45-77-73(47-57)74-48-58(55-25-9-2-10-26-55)40-46-78(74)83(77)66-50-64(80(59-29-13-4-14-30-59)62-41-43-70-71(52-62)67-35-19-20-37-69(67)79(70)56-27-11-3-12-28-56)49-65(51-66)81(60-31-15-5-16-32-60)63-42-44-76-72(53-63)68-36-21-22-38-75(68)82(76)61-33-17-6-18-34-61/h1-53,79H
InChIKeyJQSXCTSSFNRCKF-UHFFFAOYSA-N
MW1076.30 g/mol
LogP22.50
Rot. Bonds11

About 5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine

5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine (PubChem CID 90295386) has the molecular formula C79H54N3P and a molecular weight of 1076.30 g/mol. Its IUPAC name is 5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine
PubChem CID90295386
Molecular FormulaC79H54N3P
Molecular Weight1076.30 g/mol
Exact Mass1075.41
IUPAC Name5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2p3-c2cc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C4c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C79H54N3P/c1-7-23-54(24-8-1)57-39-45-77-73(47-57)74-48-58(55-25-9-2-10-26-55)40-46-78(74)83(77)66-50-64(80(59-29-13-4-14-30-59)62-41-43-70-71(52-62)67-35-19-20-37-69(67)79(70)56-27-11-3-12-28-56)49-65(51-66)81(60-31-15-5-16-32-60)63-42-44-76-72(53-63)68-36-21-22-38-75(68)82(76)61-33-17-6-18-34-61/h1-53,79H
InChIKeyJQSXCTSSFNRCKF-UHFFFAOYSA-N
XLogP22.50
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001076.30
LogP ≤ 522.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,5,9-triphenyl-N-[4-(3-phenyl-9H-fluoren-9-yl)phenyl]carbazol-3-amine
CID 169009813
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
N-[4-[4-[N,4-bis(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-4-(9H-fluoren-9-yl)aniline;4-N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 160920288
N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline
CID 88881400
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline
CID 58510731
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275807
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 155136214

Frequently Asked Questions

What is the IUPAC name of 5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine?
The IUPAC name of 5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine (CID 90295386) is 5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine?
The canonical SMILES for 5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2p3-c2cc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C4c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine?
The InChIKey is JQSXCTSSFNRCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H54N3P/c1-7-23-54(24-8-1)57-39-45-77-73(47-57)74-48-58(55-25-9-2-10-26-55)40-46-78(74)83(77)66-50-64(80(59-29-13-4-14-30-59)62-41-43-70-71(52-62)67-35-19-20-37-69(67)79(70)56-27-11-3-12-28-56)49-65(51-66)81(60-31-15-5-16-32-60)63-42-44-76-72(53-63)68-36-21-22-38-75(68)82(76)61-33-17-6-18-34-61/h1-53,79H.
What are the key properties of 5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine?
5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine has a molecular weight of 1076.30 g/mol, XLogP of 22.50, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 90295386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).