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

C59H46N2 — CID 170261151

IUPAC4-methyl-N-[4-[9-(3-phenylphenyl)carbazol-2-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(-c3ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c3)cc2)cc1
InChIInChI=1S/C59H46N2/c1-39-17-26-47(27-18-39)60(48-28-20-42(21-29-48)45-24-33-52-51-32-19-40(2)35-55(51)59(3,4)56(52)37-45)49-30-22-43(23-31-49)46-25-34-54-53-15-8-9-16-57(53)61(58(54)38-46)50-14-10-13-44(36-50)41-11-6-5-7-12-41/h5-38H,1-4H3
InChIKeyLBHFGYKDAUNEHI-UHFFFAOYSA-N
MW783.03 g/mol
LogP16.18
Rot. Bonds7

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

4-methyl-N-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline (PubChem CID 170261151) has the molecular formula C59H46N2 and a molecular weight of 783.03 g/mol. Its IUPAC name is 4-methyl-N-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
PubChem CID170261151
Molecular FormulaC59H46N2
Molecular Weight783.03 g/mol
Exact Mass782.37
IUPAC Name4-methyl-N-[4-[9-(3-phenylphenyl)carbazol-2-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(-c3ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c3)cc2)cc1
InChIInChI=1S/C59H46N2/c1-39-17-26-47(27-18-39)60(48-28-20-42(21-29-48)45-24-33-52-51-32-19-40(2)35-55(51)59(3,4)56(52)37-45)49-30-22-43(23-31-49)46-25-34-54-53-15-8-9-16-57(53)61(58(54)38-46)50-14-10-13-44(36-50)41-11-6-5-7-12-41/h5-38H,1-4H3
InChIKeyLBHFGYKDAUNEHI-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

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-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89212864
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
7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 89213014
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89213136
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038312
7-carbazol-9-yl-9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 71038403
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-amine
CID 89213147
N,N-bis(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-amine;7-carbazol-9-yl-N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine;7-carbazol-9-yl-N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine;7-carbazol-9-yl-N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 160605964
7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159276490
7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89213155

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline?
The IUPAC name of 4-methyl-N-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline (CID 170261151) is 4-methyl-N-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline.
What is the SMILES notation for 4-methyl-N-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline?
The canonical SMILES for 4-methyl-N-[4-[9-(3-phenylphenyl)carbazol-2-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(-c3ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline?
The InChIKey is LBHFGYKDAUNEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N2/c1-39-17-26-47(27-18-39)60(48-28-20-42(21-29-48)45-24-33-52-51-32-19-40(2)35-55(51)59(3,4)56(52)37-45)49-30-22-43(23-31-49)46-25-34-54-53-15-8-9-16-57(53)61(58(54)38-46)50-14-10-13-44(36-50)41-11-6-5-7-12-41/h5-38H,1-4H3.
What are the key properties of 4-methyl-N-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline?
4-methyl-N-[4-[9-(3-phenylphenyl)carbazol-2-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-(3-phenylphenyl)carbazol-2-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline is sourced from PubChem (CID 170261151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).