1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole

C84H66N2 — CID 161385391

IUPAC1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1.CCn1c2ccccc2c2cc(C=Cc3ccc(-c4ccc(C=Cc5ccc6c(c5)c5ccccc5n6CC)cc4)cc3)ccc21
InChIInChI=1S/C44H36N2.C40H30/c1-3-45-41-11-7-5-9-37(41)39-29-33(21-27-43(39)45)15-13-31-17-23-35(24-18-31)36-25-19-32(20-26-36)14-16-34-22-28-44-40(30-34)38-10-6-8-12-42(38)46(44)4-2;1-5-13-35(14-6-1)39(36-15-7-2-8-16-36)29-31-21-25-33(26-22-31)34-27-23-32(24-28-34)30-40(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h5-30H,3-4H2,1-2H3;1-30H
InChIKeyVSGRAASDIKRGSI-UHFFFAOYSA-N
MW1103.47 g/mol
LogP22.48
Rot. Bonds14

About 1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole

1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole (PubChem CID 161385391) has the molecular formula C84H66N2 and a molecular weight of 1103.47 g/mol. Its IUPAC name is 1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole.

Molecular Properties

Compound Name1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
PubChem CID161385391
Molecular FormulaC84H66N2
Molecular Weight1103.47 g/mol
Exact Mass1102.52
IUPAC Name1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1.CCn1c2ccccc2c2cc(C=Cc3ccc(-c4ccc(C=Cc5ccc6c(c5)c5ccccc5n6CC)cc4)cc3)ccc21
InChIInChI=1S/C44H36N2.C40H30/c1-3-45-41-11-7-5-9-37(41)39-29-33(21-27-43(39)45)15-13-31-17-23-35(24-18-31)36-25-19-32(20-26-36)14-16-34-22-28-44-40(30-34)38-10-6-8-12-42(38)46(44)4-2;1-5-13-35(14-6-1)39(36-15-7-2-8-16-36)29-31-21-25-33(26-22-31)34-27-23-32(24-28-34)30-40(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h5-30H,3-4H2,1-2H3;1-30H
InChIKeyVSGRAASDIKRGSI-UHFFFAOYSA-N
XLogP22.48
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001103.47
LogP ≤ 522.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde
CID 18931899
3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 160871825
9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole
CID 126628470
1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271
9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
CID 171700207
2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole
CID 118404920
3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole
CID 141498099
2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile
CID 102262296
3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal
CID 173162246
(3E)-4-(9-ethylcarbazol-3-yl)buta-1,3-diene-1,1,2-tricarbonitrile
CID 171377802
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole?
The IUPAC name of 1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole (CID 161385391) is 1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole.
What is the SMILES notation for 1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole?
The canonical SMILES for 1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole is C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1.CCn1c2ccccc2c2cc(C=Cc3ccc(-c4ccc(C=Cc5ccc6c(c5)c5ccccc5n6CC)cc4)cc3)ccc21.
What is the InChIKey of 1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole?
The InChIKey is VSGRAASDIKRGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2.C40H30/c1-3-45-41-11-7-5-9-37(41)39-29-33(21-27-43(39)45)15-13-31-17-23-35(24-18-31)36-25-19-32(20-26-36)14-16-34-22-28-44-40(30-34)38-10-6-8-12-42(38)46(44)4-2;1-5-13-35(14-6-1)39(36-15-7-2-8-16-36)29-31-21-25-33(26-22-31)34-27-23-32(24-28-34)30-40(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h5-30H,3-4H2,1-2H3;1-30H.
What are the key properties of 1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole?
1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole has a molecular weight of 1103.47 g/mol, XLogP of 22.48, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole is sourced from PubChem (CID 161385391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).