2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline

C59H42N2 — CID 167196095

IUPAC2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESCc1cccc2ccc(-n3c4ccccc4c4c(-c5cccc(-c6ccccc6N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)c5)cccc43)cc12
InChIInChI=1S/C59H42N2/c1-41-15-12-20-46-33-38-51(40-55(41)46)61-57-27-11-9-24-54(57)59-53(25-14-28-58(59)61)48-22-13-21-47(39-48)52-23-8-10-26-56(52)60(49-34-29-44(30-35-49)42-16-4-2-5-17-42)50-36-31-45(32-37-50)43-18-6-3-7-19-43/h2-40H,1H3
InChIKeyTUNVRXNXTUMJPL-UHFFFAOYSA-N
MW779.00 g/mol
LogP16.38
Rot. Bonds8

About 2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline

2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline (PubChem CID 167196095) has the molecular formula C59H42N2 and a molecular weight of 779.00 g/mol. Its IUPAC name is 2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
PubChem CID167196095
Molecular FormulaC59H42N2
Molecular Weight779.00 g/mol
Exact Mass778.33
IUPAC Name2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESCc1cccc2ccc(-n3c4ccccc4c4c(-c5cccc(-c6ccccc6N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)c5)cccc43)cc12
InChIInChI=1S/C59H42N2/c1-41-15-12-20-46-33-38-51(40-55(41)46)61-57-27-11-9-24-54(57)59-53(25-14-28-58(59)61)48-22-13-21-47(39-48)52-23-8-10-26-56(52)60(49-34-29-44(30-35-49)42-16-4-2-5-17-42)50-36-31-45(32-37-50)43-18-6-3-7-19-43/h2-40H,1H3
InChIKeyTUNVRXNXTUMJPL-UHFFFAOYSA-N
XLogP16.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.00
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline
CID 167196113
N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196149
N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659568
2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660654
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659838
N-(4-benzo[c]carbazol-7-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167038136
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline
CID 130250077
3-(9-phenanthren-2-ylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 166660209

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline (CID 167196095) is 2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline is Cc1cccc2ccc(-n3c4ccccc4c4c(-c5cccc(-c6ccccc6N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)c5)cccc43)cc12.
What is the InChIKey of 2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is TUNVRXNXTUMJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2/c1-41-15-12-20-46-33-38-51(40-55(41)46)61-57-27-11-9-24-54(57)59-53(25-14-28-58(59)61)48-22-13-21-47(39-48)52-23-8-10-26-56(52)60(49-34-29-44(30-35-49)42-16-4-2-5-17-42)50-36-31-45(32-37-50)43-18-6-3-7-19-43/h2-40H,1H3.
What are the key properties of 2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline?
2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 779.00 g/mol, XLogP of 16.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 167196095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).