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

C57H42N2 — CID 166660351

IUPAC3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c(-c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)c5)cccc43)cc21
InChIInChI=1S/C57H42N2/c1-57(2)52-24-11-9-21-49(52)50-36-35-47(38-53(50)57)59-54-25-12-10-22-51(54)56-48(23-14-26-55(56)59)43-19-13-20-46(37-43)58(44-31-27-41(28-32-44)39-15-5-3-6-16-39)45-33-29-42(30-34-45)40-17-7-4-8-18-40/h3-38H,1-2H3
InChIKeyOVHBMAFFNYYGOZ-UHFFFAOYSA-N
MW754.98 g/mol
LogP15.56
Rot. Bonds7

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

3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline (PubChem CID 166660351) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline
PubChem CID166660351
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC Name3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c(-c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)c5)cccc43)cc21
InChIInChI=1S/C57H42N2/c1-57(2)52-24-11-9-21-49(52)50-36-35-47(38-53(50)57)59-54-25-12-10-22-51(54)56-48(23-14-26-55(56)59)43-19-13-20-46(37-43)58(44-31-27-41(28-32-44)39-15-5-3-6-16-39)45-33-29-42(30-34-45)40-17-7-4-8-18-40/h3-38H,1-2H3
InChIKeyOVHBMAFFNYYGOZ-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

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 166659757
2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660654
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878199
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390067
4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline
CID 118289325
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390145
9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177101254
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389919
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
7-carbazol-9-yl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58389898
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390079

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline (CID 166660351) is 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c(-c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)c5)cccc43)cc21.
What is the InChIKey of 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is OVHBMAFFNYYGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)52-24-11-9-21-49(52)50-36-35-47(38-53(50)57)59-54-25-12-10-22-51(54)56-48(23-14-26-55(56)59)43-19-13-20-46(37-43)58(44-31-27-41(28-32-44)39-15-5-3-6-16-39)45-33-29-42(30-34-45)40-17-7-4-8-18-40/h3-38H,1-2H3.
What are the key properties of 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline?
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)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-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 166660351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).