4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine

C100H72N6 — CID 137428819

IUPAC4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESC=Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(C=C)cc8)cc7)c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C100H72N6/c1-3-71-33-47-91(48-34-71)105-97-31-19-17-29-93(97)95-69-77(45-67-99(95)105)75-41-55-85(56-42-75)103(89-63-59-87(60-64-89)101(79-21-9-5-10-22-79)80-23-11-6-12-24-80)83-51-37-73(38-52-83)74-39-53-84(54-40-74)104(90-65-61-88(62-66-90)102(81-25-13-7-14-26-81)82-27-15-8-16-28-82)86-57-43-76(44-58-86)78-46-68-100-96(70-78)94-30-18-20-32-98(94)106(100)92-49-35-72(4-2)36-50-92/h3-70H,1-2H2
InChIKeyGGYZRBDYIWZGKS-UHFFFAOYSA-N
MW1357.72 g/mol
LogP28.05
Rot. Bonds19

About 4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine

4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine (PubChem CID 137428819) has the molecular formula C100H72N6 and a molecular weight of 1357.72 g/mol. Its IUPAC name is 4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
PubChem CID137428819
Molecular FormulaC100H72N6
Molecular Weight1357.72 g/mol
Exact Mass1356.58
IUPAC Name4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESC=Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(C=C)cc8)cc7)c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C100H72N6/c1-3-71-33-47-91(48-34-71)105-97-31-19-17-29-93(97)95-69-77(45-67-99(95)105)75-41-55-85(56-42-75)103(89-63-59-87(60-64-89)101(79-21-9-5-10-22-79)80-23-11-6-12-24-80)83-51-37-73(38-52-83)74-39-53-84(54-40-74)104(90-65-61-88(62-66-90)102(81-25-13-7-14-26-81)82-27-15-8-16-28-82)86-57-43-76(44-58-86)78-46-68-100-96(70-78)94-30-18-20-32-98(94)106(100)92-49-35-72(4-2)36-50-92/h3-70H,1-2H2
InChIKeyGGYZRBDYIWZGKS-UHFFFAOYSA-N
XLogP28.05
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001357.72
LogP ≤ 528.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine with MolForge

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Related Compounds

4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 58568926
N-[4-[9-(4-ethenylphenyl)-6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142340184
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 139320793
3,9-bis(4-ethenylphenyl)carbazole
CID 154999846
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
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-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 158069422
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine (CID 137428819) is 4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine is C=Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(C=C)cc8)cc7)c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)ccc32)cc1.
What is the InChIKey of 4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The InChIKey is GGYZRBDYIWZGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H72N6/c1-3-71-33-47-91(48-34-71)105-97-31-19-17-29-93(97)95-69-77(45-67-99(95)105)75-41-55-85(56-42-75)103(89-63-59-87(60-64-89)101(79-21-9-5-10-22-79)80-23-11-6-12-24-80)83-51-37-73(38-52-83)74-39-53-84(54-40-74)104(90-65-61-88(62-66-90)102(81-25-13-7-14-26-81)82-27-15-8-16-28-82)86-57-43-76(44-58-86)78-46-68-100-96(70-78)94-30-18-20-32-98(94)106(100)92-49-35-72(4-2)36-50-92/h3-70H,1-2H2.
What are the key properties of 4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine has a molecular weight of 1357.72 g/mol, XLogP of 28.05, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 137428819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).