4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C68H47N3 — CID 58568926

IUPAC4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESC=Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H47N3/c1-2-47-21-23-48(24-22-47)49-25-27-50(28-26-49)51-29-37-58(38-30-51)69(59-39-31-52(32-40-59)54-35-43-67-63(45-54)61-17-9-11-19-65(61)70(67)56-13-5-3-6-14-56)60-41-33-53(34-42-60)55-36-44-68-64(46-55)62-18-10-12-20-66(62)71(68)57-15-7-4-8-16-57/h2-46H,1H2
InChIKeyBKNDOTFYUYFLFQ-UHFFFAOYSA-N
MW906.15 g/mol
LogP18.66
Rot. Bonds10

About 4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline

4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 58568926) has the molecular formula C68H47N3 and a molecular weight of 906.15 g/mol. Its IUPAC name is 4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound Name4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID58568926
Molecular FormulaC68H47N3
Molecular Weight906.15 g/mol
Exact Mass905.38
IUPAC Name4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESC=Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H47N3/c1-2-47-21-23-48(24-22-47)49-25-27-50(28-26-49)51-29-37-58(38-30-51)69(59-39-31-52(32-40-59)54-35-43-67-63(45-54)61-17-9-11-19-65(61)70(67)56-13-5-3-6-14-56)60-41-33-53(34-42-60)55-36-44-68-64(46-55)62-18-10-12-20-66(62)71(68)57-15-7-4-8-16-57/h2-46H,1H2
InChIKeyBKNDOTFYUYFLFQ-UHFFFAOYSA-N
XLogP18.66
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.15
LogP ≤ 518.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
3,9-bis(4-ethenylphenyl)carbazole
CID 154999846
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
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
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
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-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of 4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 58568926) is 4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for 4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for 4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline is C=Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is BKNDOTFYUYFLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N3/c1-2-47-21-23-48(24-22-47)49-25-27-50(28-26-49)51-29-37-58(38-30-51)69(59-39-31-52(32-40-59)54-35-43-67-63(45-54)61-17-9-11-19-65(61)70(67)56-13-5-3-6-14-56)60-41-33-53(34-42-60)55-36-44-68-64(46-55)62-18-10-12-20-66(62)71(68)57-15-7-4-8-16-57/h2-46H,1H2.
What are the key properties of 4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 906.15 g/mol, XLogP of 18.66, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 58568926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).