3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole

C55H40N2 — CID 177063540

IUPAC3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
SMILESC=Cc1c(/C=C\C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3-c3ccccc3)ccc2n1-c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C55H40N2/c1-3-15-47-49-36-43(30-34-54(49)56(51(47)4-2)45-32-28-41(29-33-45)40-26-24-39(25-27-40)38-16-7-5-8-17-38)44-31-35-55-50(37-44)48-21-12-14-23-53(48)57(55)52-22-13-11-20-46(52)42-18-9-6-10-19-42/h3-37H,2H2,1H3/b15-3-
InChIKeyIJLQRPFMLRHMME-CQPUUCJISA-N
MW728.94 g/mol
LogP15.07
Rot. Bonds8

About 3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole

3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole (PubChem CID 177063540) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
PubChem CID177063540
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
SMILESC=Cc1c(/C=C\C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3-c3ccccc3)ccc2n1-c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C55H40N2/c1-3-15-47-49-36-43(30-34-54(49)56(51(47)4-2)45-32-28-41(29-33-45)40-26-24-39(25-27-40)38-16-7-5-8-17-38)44-31-35-55-50(37-44)48-21-12-14-23-53(48)57(55)52-22-13-11-20-46(52)42-18-9-6-10-19-42/h3-37H,2H2,1H3/b15-3-
InChIKeyIJLQRPFMLRHMME-CQPUUCJISA-N
XLogP15.07
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3,5-dibromophenyl)-3-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]carbazole
CID 145163222
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 89315996
ethane;3-[2-ethenyl-1-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-phenylcarbazole
CID 177063270
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
3-(9-phenylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161191083
N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
CID 130309344
(3Z)-penta-1,3-diene;3-(9-phenylcarbazol-3-yl)-9-[2-(3-phenylphenyl)phenyl]carbazole
CID 142314955
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161451910
9-(2-phenylphenyl)-3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]carbazole
CID 159114299
3-[9-[4-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 171812828

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole?
The IUPAC name of 3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole (CID 177063540) is 3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole is C=Cc1c(/C=C\C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3-c3ccccc3)ccc2n1-c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole?
The InChIKey is IJLQRPFMLRHMME-CQPUUCJISA-N. The full InChI is InChI=1S/C55H40N2/c1-3-15-47-49-36-43(30-34-54(49)56(51(47)4-2)45-32-28-41(29-33-45)40-26-24-39(25-27-40)38-16-7-5-8-17-38)44-31-35-55-50(37-44)48-21-12-14-23-53(48)57(55)52-22-13-11-20-46(52)42-18-9-6-10-19-42/h3-37H,2H2,1H3/b15-3-.
What are the key properties of 3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole?
3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole has a molecular weight of 728.94 g/mol, XLogP of 15.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 177063540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).