4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline

C59H46N2 — CID 170261145

IUPAC4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C59H46N2/c1-39-14-25-47(26-15-39)60(49-29-21-44(22-30-49)46-23-34-52-51-33-16-40(2)36-55(51)59(3,4)56(52)38-46)48-27-19-43(20-28-48)45-24-35-58-54(37-45)53-12-8-9-13-57(53)61(58)50-31-17-42(18-32-50)41-10-6-5-7-11-41/h5-38H,1-4H3
InChIKeyBSYFZZIXDFTFFG-UHFFFAOYSA-N
MW783.03 g/mol
LogP16.18
Rot. Bonds7

About 4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline

4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline (PubChem CID 170261145) has the molecular formula C59H46N2 and a molecular weight of 783.03 g/mol. Its IUPAC name is 4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
PubChem CID170261145
Molecular FormulaC59H46N2
Molecular Weight783.03 g/mol
Exact Mass782.37
IUPAC Name4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C59H46N2/c1-39-14-25-47(26-15-39)60(49-29-21-44(22-30-49)46-23-34-52-51-33-16-40(2)36-55(51)59(3,4)56(52)38-46)48-27-19-43(20-28-48)45-24-35-58-54(37-45)53-12-8-9-13-57(53)61(58)50-31-17-42(18-32-50)41-10-6-5-7-11-41/h5-38H,1-4H3
InChIKeyBSYFZZIXDFTFFG-UHFFFAOYSA-N
XLogP16.18
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.03
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 71038279
4-methyl-N-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
CID 170261151
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
9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89212864
9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 135163375
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine;N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 158957479
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-N,9-bis(4-methylphenyl)carbazol-3-amine
CID 58383998
2-carbazol-9-yl-9-[7-(2-carbazol-9-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]carbazole;2-carbazol-9-yl-9-[4-(2-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-6-phenylcarbazole;9-[9,9-dimethyl-7-[2-(N-phenylanilino)carbazol-9-yl]fluoren-2-yl]-N,N-diphenylcarbazol-2-amine;9-[9-[4-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-3,6-diphenylcarbazole
CID 158084522
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline?
The IUPAC name of 4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline (CID 170261145) is 4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline.
What is the SMILES notation for 4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline?
The canonical SMILES for 4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline is Cc1ccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline?
The InChIKey is BSYFZZIXDFTFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N2/c1-39-14-25-47(26-15-39)60(49-29-21-44(22-30-49)46-23-34-52-51-33-16-40(2)36-55(51)59(3,4)56(52)38-46)48-27-19-43(20-28-48)45-24-35-58-54(37-45)53-12-8-9-13-57(53)61(58)50-31-17-42(18-32-50)41-10-6-5-7-11-41/h5-38H,1-4H3.
What are the key properties of 4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline?
4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline has a molecular weight of 783.03 g/mol, XLogP of 16.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline is sourced from PubChem (CID 170261145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).