6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine

C76H54N4 — CID 139320793

IUPAC6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESC=Cc1ccc(-c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)c6cc(-c8ccc(C=C)cc8)ccc6n7-c6ccccc6)cc5)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C76H54N4/c1-3-53-25-29-57(30-26-53)59-37-45-73-69(49-59)71-51-67(43-47-75(71)79(73)63-21-13-7-14-22-63)77(61-17-9-5-10-18-61)65-39-33-55(34-40-65)56-35-41-66(42-36-56)78(62-19-11-6-12-20-62)68-44-48-76-72(52-68)70-50-60(58-31-27-54(4-2)28-32-58)38-46-74(70)80(76)64-23-15-8-16-24-64/h3-52H,1-2H2
InChIKeyDGOILZIAELSQPY-UHFFFAOYSA-N
MW1023.30 g/mol
LogP21.11
Rot. Bonds13

About 6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine

6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 139320793) has the molecular formula C76H54N4 and a molecular weight of 1023.30 g/mol. Its IUPAC name is 6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID139320793
Molecular FormulaC76H54N4
Molecular Weight1023.30 g/mol
Exact Mass1022.43
IUPAC Name6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESC=Cc1ccc(-c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)c6cc(-c8ccc(C=C)cc8)ccc6n7-c6ccccc6)cc5)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C76H54N4/c1-3-53-25-29-57(30-26-53)59-37-45-73-69(49-59)71-51-67(43-47-75(71)79(73)63-21-13-7-14-22-63)77(61-17-9-5-10-18-61)65-39-33-55(34-40-65)56-35-41-66(42-36-56)78(62-19-11-6-12-20-62)68-44-48-76-72(52-68)70-50-60(58-31-27-54(4-2)28-32-58)38-46-74(70)80(76)64-23-15-8-16-24-64/h3-52H,1-2H2
InChIKeyDGOILZIAELSQPY-UHFFFAOYSA-N
XLogP21.11
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.30
LogP ≤ 521.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 58568926
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-[4-(methoxymethyl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-9-[4-(methoxymethyl)phenyl]-N-phenylcarbazol-3-amine
CID 146848929
6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 166763972
6-ethenyl-N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 166764286
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenyl-1,2-dihydrocarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 155073664
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
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
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of 6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine (CID 139320793) is 6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for 6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for 6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine is C=Cc1ccc(-c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)c6cc(-c8ccc(C=C)cc8)ccc6n7-c6ccccc6)cc5)cc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is DGOILZIAELSQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54N4/c1-3-53-25-29-57(30-26-53)59-37-45-73-69(49-59)71-51-67(43-47-75(71)79(73)63-21-13-7-14-22-63)77(61-17-9-5-10-18-61)65-39-33-55(34-40-65)56-35-41-66(42-36-56)78(62-19-11-6-12-20-62)68-44-48-76-72(52-68)70-50-60(58-31-27-54(4-2)28-32-58)38-46-74(70)80(76)64-23-15-8-16-24-64/h3-52H,1-2H2.
What are the key properties of 6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 1023.30 g/mol, XLogP of 21.11, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 139320793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).