benzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline

C61H54N2 — CID 144519749

IUPACbenzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccccc21.Cc1ccc(-n2c3ccccc3c3cc(-c4c(C)cc(N(C)c5ccc(-c6ccccc6)cc5)cc4C)ccc32)cc1.c1ccccc1
InChIInChI=1S/C40H34N2.C15H14.C6H6/c1-27-14-19-34(20-15-27)42-38-13-9-8-12-36(38)37-26-32(18-23-39(37)42)40-28(2)24-35(25-29(40)3)41(4)33-21-16-31(17-22-33)30-10-6-5-7-11-30;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-2-4-6-5-3-1/h5-26H,1-4H3;3-10H,1-2H3;1-6H
InChIKeyAOZVEOYLRWUMLV-UHFFFAOYSA-N
MW815.12 g/mol
LogP16.49
Rot. Bonds5

About benzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline

benzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline (PubChem CID 144519749) has the molecular formula C61H54N2 and a molecular weight of 815.12 g/mol. Its IUPAC name is benzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Namebenzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline
PubChem CID144519749
Molecular FormulaC61H54N2
Molecular Weight815.12 g/mol
Exact Mass814.43
IUPAC Namebenzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccccc21.Cc1ccc(-n2c3ccccc3c3cc(-c4c(C)cc(N(C)c5ccc(-c6ccccc6)cc5)cc4C)ccc32)cc1.c1ccccc1
InChIInChI=1S/C40H34N2.C15H14.C6H6/c1-27-14-19-34(20-15-27)42-38-13-9-8-12-36(38)37-26-32(18-23-39(37)42)40-28(2)24-35(25-29(40)3)41(4)33-21-16-31(17-22-33)30-10-6-5-7-11-30;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-2-4-6-5-3-1/h5-26H,1-4H3;3-10H,1-2H3;1-6H
InChIKeyAOZVEOYLRWUMLV-UHFFFAOYSA-N
XLogP16.49
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.12
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine
CID 58903663
4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
CID 170261145
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
N-(4-carbazol-9-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-N-phenylnaphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-N-phenylnaphthalen-1-amine
CID 161429717
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
CID 137401866
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
1-N-(9,9-dimethylfluoren-3-yl)-1-N,4-N-bis(4-methylphenyl)-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 71249275
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234

Frequently Asked Questions

What is the IUPAC name of benzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline?
The IUPAC name of benzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline (CID 144519749) is benzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for benzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for benzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2ccccc21.Cc1ccc(-n2c3ccccc3c3cc(-c4c(C)cc(N(C)c5ccc(-c6ccccc6)cc5)cc4C)ccc32)cc1.c1ccccc1.
What is the InChIKey of benzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline?
The InChIKey is AOZVEOYLRWUMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N2.C15H14.C6H6/c1-27-14-19-34(20-15-27)42-38-13-9-8-12-36(38)37-26-32(18-23-39(37)42)40-28(2)24-35(25-29(40)3)41(4)33-21-16-31(17-22-33)30-10-6-5-7-11-30;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-2-4-6-5-3-1/h5-26H,1-4H3;3-10H,1-2H3;1-6H.
What are the key properties of benzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline?
benzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline has a molecular weight of 815.12 g/mol, XLogP of 16.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 144519749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).