4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile

C54H48N4 — CID 143896101

IUPAC4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile
SMILESCC1=C2C(=CC(N(c3ccc(C)cc3)c3ccc(C#N)cc3)C1)C(C)(C)c1cc3c(cc12)C(C)(C)c1cc(N(c2ccc(C)cc2)c2ccc(C#N)cc2)cc(C)c1-3
InChIInChI=1S/C54H48N4/c1-33-9-17-39(18-10-33)57(41-21-13-37(31-55)14-22-41)43-25-35(3)51-45-29-48-46(30-47(45)53(5,6)49(51)27-43)52-36(4)26-44(28-50(52)54(48,7)8)58(40-19-11-34(2)12-20-40)42-23-15-38(32-56)16-24-42/h9-25,27-30,44H,26H2,1-8H3
InChIKeyZFGAUFRQFQWDRN-UHFFFAOYSA-N
MW753.01 g/mol
LogP13.73
Rot. Bonds6

About 4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile

4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile (PubChem CID 143896101) has the molecular formula C54H48N4 and a molecular weight of 753.01 g/mol. Its IUPAC name is 4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile.

Molecular Properties

Compound Name4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile
PubChem CID143896101
Molecular FormulaC54H48N4
Molecular Weight753.01 g/mol
Exact Mass752.39
IUPAC Name4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile
SMILESCC1=C2C(=CC(N(c3ccc(C)cc3)c3ccc(C#N)cc3)C1)C(C)(C)c1cc3c(cc12)C(C)(C)c1cc(N(c2ccc(C)cc2)c2ccc(C#N)cc2)cc(C)c1-3
InChIInChI=1S/C54H48N4/c1-33-9-17-39(18-10-33)57(41-21-13-37(31-55)14-22-41)43-25-35(3)51-45-29-48-46(30-47(45)53(5,6)49(51)27-43)52-36(4)26-44(28-50(52)54(48,7)8)58(40-19-11-34(2)12-20-40)42-23-15-38(32-56)16-24-42/h9-25,27-30,44H,26H2,1-8H3
InChIKeyZFGAUFRQFQWDRN-UHFFFAOYSA-N
XLogP13.73
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.01
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile with MolForge

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Related Compounds

4-(4-cyano-N-[2-(4-isocyano-N-(4-isocyanophenyl)anilino)-4,7,11,11,12,12-hexamethylindeno[2,1-a]fluoren-9-yl]anilino)benzonitrile
CID 58232288
2-N,2-N,8-N,8-N-tetrakis(3,4-dimethylphenyl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluorene-2,8-diamine
CID 58232252
4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 90260304
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 58232260
4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
CID 58232307
1-N,1-N,5-N,5-N-tetraphenyl-3-N-(4-phenylphenyl)-3-N-(5,7,9,9-tetramethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117455
4-(N-[19-[4-(cyanomethyl)-N-(2,4-dimethylphenyl)anilino]-12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl]-2,4-dimethylanilino)benzonitrile
CID 123676563
9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine
CID 70870283
5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine
CID 59510924
4-(N-[5-(N-(4-isocyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile
CID 140722420
4-[4-[4-(4-cyanophenyl)-3-methyl-N-[3-methyl-4-[4-(N-phenylanilino)phenyl]phenyl]anilino]-2-methylphenyl]benzonitrile
CID 122435879

Frequently Asked Questions

What is the IUPAC name of 4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile?
The IUPAC name of 4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile (CID 143896101) is 4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile.
What is the SMILES notation for 4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile?
The canonical SMILES for 4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile is CC1=C2C(=CC(N(c3ccc(C)cc3)c3ccc(C#N)cc3)C1)C(C)(C)c1cc3c(cc12)C(C)(C)c1cc(N(c2ccc(C)cc2)c2ccc(C#N)cc2)cc(C)c1-3.
What is the InChIKey of 4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile?
The InChIKey is ZFGAUFRQFQWDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N4/c1-33-9-17-39(18-10-33)57(41-21-13-37(31-55)14-22-41)43-25-35(3)51-45-29-48-46(30-47(45)53(5,6)49(51)27-43)52-36(4)26-44(28-50(52)54(48,7)8)58(40-19-11-34(2)12-20-40)42-23-15-38(32-56)16-24-42/h9-25,27-30,44H,26H2,1-8H3.
What are the key properties of 4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile?
4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile has a molecular weight of 753.01 g/mol, XLogP of 13.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile is sourced from PubChem (CID 143896101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).