3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

C57H42N2 — CID 166660384

IUPAC3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c(-c5cccc(N(c6ccccc6)c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c5)cccc43)c21
InChIInChI=1S/C57H42N2/c1-57(2)51-26-11-9-22-48(51)49-25-15-29-54(56(49)57)59-52-27-12-10-23-50(52)55-47(24-14-28-53(55)59)43-18-13-21-46(38-43)58(44-19-7-4-8-20-44)45-36-34-42(35-37-45)41-32-30-40(31-33-41)39-16-5-3-6-17-39/h3-38H,1-2H3
InChIKeySISPYMWJTVTONQ-UHFFFAOYSA-N
MW754.98 g/mol
LogP15.56
Rot. Bonds7

About 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 166660384) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID166660384
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC Name3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c(-c5cccc(N(c6ccccc6)c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c5)cccc43)c21
InChIInChI=1S/C57H42N2/c1-57(2)51-26-11-9-22-48(51)49-25-15-29-54(56(49)57)59-52-27-12-10-23-50(52)55-47(24-14-28-53(55)59)43-18-13-21-46(38-43)58(44-19-7-4-8-20-44)45-36-34-42(35-37-45)41-32-30-40(31-33-41)39-16-5-3-6-17-39/h3-38H,1-2H3
InChIKeySISPYMWJTVTONQ-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 166660203
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline
CID 166660351
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 166659757
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167322095
4-N-[4-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 66585196
3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660105
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878199
2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660654
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 167196004

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 166660384) is 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is CC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c(-c5cccc(N(c6ccccc6)c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c5)cccc43)c21.
What is the InChIKey of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is SISPYMWJTVTONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)51-26-11-9-22-48(51)49-25-15-29-54(56(49)57)59-52-27-12-10-23-50(52)55-47(24-14-28-53(55)59)43-18-13-21-46(38-43)58(44-19-7-4-8-20-44)45-36-34-42(35-37-45)41-32-30-40(31-33-41)39-16-5-3-6-17-39/h3-38H,1-2H3.
What are the key properties of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 754.98 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 166660384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).