N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline

C57H42N2 — CID 166659757

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C57H42N2/c1-57(2)52-24-11-9-21-49(52)50-36-31-42(38-53(50)57)41-29-34-46(35-30-41)58(45-32-27-40(28-33-45)39-15-5-3-6-16-39)47-20-13-17-43(37-47)48-23-14-26-55-56(48)51-22-10-12-25-54(51)59(55)44-18-7-4-8-19-44/h3-38H,1-2H3
InChIKeyLNMMPIHBAPFCSJ-UHFFFAOYSA-N
MW754.98 g/mol
LogP15.56
Rot. Bonds7

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

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline (PubChem CID 166659757) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
PubChem CID166659757
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C57H42N2/c1-57(2)52-24-11-9-21-49(52)50-36-31-42(38-53(50)57)41-29-34-46(35-30-41)58(45-32-27-40(28-33-45)39-15-5-3-6-16-39)47-20-13-17-43(37-47)48-23-14-26-55-56(48)51-22-10-12-25-54(51)59(55)44-18-7-4-8-19-44/h3-38H,1-2H3
InChIKeyLNMMPIHBAPFCSJ-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-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline
CID 166660351
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170142720
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878199
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
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
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 155138309
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009715
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine
CID 121358609
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 155205825

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline (CID 166659757) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is LNMMPIHBAPFCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)52-24-11-9-21-49(52)50-36-31-42(38-53(50)57)41-29-34-46(35-30-41)58(45-32-27-40(28-33-45)39-15-5-3-6-16-39)47-20-13-17-43(37-47)48-23-14-26-55-56(48)51-22-10-12-25-54(51)59(55)44-18-7-4-8-19-44/h3-38H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(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 N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166659757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).