4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile

C95H66N4 — CID 89087768

IUPAC4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(C#N)cc5)c5ccc6c7c(cccc57)-c5ccccc5-6)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(C#N)cc5)c5ccc6c7c(cccc57)-c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C95H66N4/c1-93(2)83-49-57(21-23-59-31-41-73-75-43-37-65(53-87(75)94(3,4)85(73)51-59)98(63-33-25-61(55-96)26-34-63)89-47-45-79-69-15-9-7-13-67(69)77-17-11-19-81(89)91(77)79)29-39-71(83)72-40-30-58(50-84(72)93)22-24-60-32-42-74-76-44-38-66(54-88(76)95(5,6)86(74)52-60)99(64-35-27-62(56-97)28-36-64)90-48-46-80-70-16-10-8-14-68(70)78-18-12-20-82(90)92(78)80/h7-54H,1-6H3/b23-21+,24-22+
InChIKeyPMURADMPWKEQAF-MBALSZOMSA-N
MW1263.60 g/mol
LogP25.23
Rot. Bonds10

About 4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile

4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile (PubChem CID 89087768) has the molecular formula C95H66N4 and a molecular weight of 1263.60 g/mol. Its IUPAC name is 4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile.

Molecular Properties

Compound Name4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile
PubChem CID89087768
Molecular FormulaC95H66N4
Molecular Weight1263.60 g/mol
Exact Mass1262.53
IUPAC Name4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(C#N)cc5)c5ccc6c7c(cccc57)-c5ccccc5-6)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(C#N)cc5)c5ccc6c7c(cccc57)-c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C95H66N4/c1-93(2)83-49-57(21-23-59-31-41-73-75-43-37-65(53-87(75)94(3,4)85(73)51-59)98(63-33-25-61(55-96)26-34-63)89-47-45-79-69-15-9-7-13-67(69)77-17-11-19-81(89)91(77)79)29-39-71(83)72-40-30-58(50-84(72)93)22-24-60-32-42-74-76-44-38-66(54-88(76)95(5,6)86(74)52-60)99(64-35-27-62(56-97)28-36-64)90-48-46-80-70-16-10-8-14-68(70)78-18-12-20-82(90)92(78)80/h7-54H,1-6H3/b23-21+,24-22+
InChIKeyPMURADMPWKEQAF-MBALSZOMSA-N
XLogP25.23
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001263.60
LogP ≤ 525.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine
CID 89067725
4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile
CID 59245949
4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-pyridin-2-ylamino]benzonitrile
CID 89087921
9,9-dimethyl-N,N-dinaphthalen-1-yl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 76639589
4-[N-naphthalen-1-yl-4-[2-[4-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)phenyl]ethenyl]anilino]benzonitrile
CID 123501877
N-[9,9-dimethyl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(4-methylphenyl)-7H-benzo[a]phenalen-4-amine
CID 91214788
7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59246492
7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine
CID 59246065
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(naphthalen-2-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-ylfluoren-2-amine
CID 59246200
7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 59246429
9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89068043

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile?
The IUPAC name of 4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile (CID 89087768) is 4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile.
What is the SMILES notation for 4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile?
The canonical SMILES for 4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile is CC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(C#N)cc5)c5ccc6c7c(cccc57)-c5ccccc5-6)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(C#N)cc5)c5ccc6c7c(cccc57)-c5ccccc5-6)ccc3-4)cc21.
What is the InChIKey of 4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile?
The InChIKey is PMURADMPWKEQAF-MBALSZOMSA-N. The full InChI is InChI=1S/C95H66N4/c1-93(2)83-49-57(21-23-59-31-41-73-75-43-37-65(53-87(75)94(3,4)85(73)51-59)98(63-33-25-61(55-96)26-34-63)89-47-45-79-69-15-9-7-13-67(69)77-17-11-19-81(89)91(77)79)29-39-71(83)72-40-30-58(50-84(72)93)22-24-60-32-42-74-76-44-38-66(54-88(76)95(5,6)86(74)52-60)99(64-35-27-62(56-97)28-36-64)90-48-46-80-70-16-10-8-14-68(70)78-18-12-20-82(90)92(78)80/h7-54H,1-6H3/b23-21+,24-22+.
What are the key properties of 4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile?
4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile has a molecular weight of 1263.60 g/mol, XLogP of 25.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile is sourced from PubChem (CID 89087768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).