1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine

C58H53N3 — CID 145257422

IUPAC1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1N(c1ccccc1)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C58H53N3/c1-40-37-41(27-35-53(40)60(45-23-15-10-16-24-45)48-33-34-51-52(39-48)57(4,5)58(6,7)56(51,2)3)42-28-36-55-50(38-42)49-25-17-18-26-54(49)61(55)47-31-29-46(30-32-47)59(43-19-11-8-12-20-43)44-21-13-9-14-22-44/h8-39H,1-7H3
InChIKeyPZIVEQPTZNRTOU-UHFFFAOYSA-N
MW792.08 g/mol
LogP16.29
Rot. Bonds8

About 1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine

1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine (PubChem CID 145257422) has the molecular formula C58H53N3 and a molecular weight of 792.08 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine.

Molecular Properties

Compound Name1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine
PubChem CID145257422
Molecular FormulaC58H53N3
Molecular Weight792.08 g/mol
Exact Mass791.42
IUPAC Name1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1N(c1ccccc1)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C58H53N3/c1-40-37-41(27-35-53(40)60(45-23-15-10-16-24-45)48-33-34-51-52(39-48)57(4,5)58(6,7)56(51,2)3)42-28-36-55-50(38-42)49-25-17-18-26-54(49)61(55)47-31-29-46(30-32-47)59(43-19-11-8-12-20-43)44-21-13-9-14-22-44/h8-39H,1-7H3
InChIKeyPZIVEQPTZNRTOU-UHFFFAOYSA-N
XLogP16.29
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.08
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 71038279
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-phenylphenyl)fluorene-2,7-diamine;7-(3,6-diphenylcarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158713660
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
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58390142
9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038312
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390145
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

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine?
The IUPAC name of 1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine (CID 145257422) is 1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine.
What is the SMILES notation for 1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine?
The canonical SMILES for 1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine is Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1N(c1ccccc1)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of 1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine?
The InChIKey is PZIVEQPTZNRTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H53N3/c1-40-37-41(27-35-53(40)60(45-23-15-10-16-24-45)48-33-34-51-52(39-48)57(4,5)58(6,7)56(51,2)3)42-28-36-55-50(38-42)49-25-17-18-26-54(49)61(55)47-31-29-46(30-32-47)59(43-19-11-8-12-20-43)44-21-13-9-14-22-44/h8-39H,1-7H3.
What are the key properties of 1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine?
1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine has a molecular weight of 792.08 g/mol, XLogP of 16.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine is sourced from PubChem (CID 145257422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).