N-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine

C66H50N2O — CID 158842147

IUPACN-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(C)cc5)c5cc(C)c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5C)cc43)cc2)cc1
InChIInChI=1S/C66H50N2O/c1-5-47-26-34-54(35-27-47)69-55-36-29-50(30-37-55)66(49-16-8-6-9-17-49)61-22-14-12-20-56(61)57-38-33-53(43-62(57)66)67(52-31-24-44(2)25-32-52)65-41-45(3)59(40-46(65)4)48-28-39-64-60(42-48)58-21-13-15-23-63(58)68(64)51-18-10-7-11-19-51/h5-43H,1H2,2-4H3
InChIKeyYBLBCWJWKSAXGU-UHFFFAOYSA-N
MW887.14 g/mol
LogP17.64
Rot. Bonds10

About N-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine

N-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine (PubChem CID 158842147) has the molecular formula C66H50N2O and a molecular weight of 887.14 g/mol. Its IUPAC name is N-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine
PubChem CID158842147
Molecular FormulaC66H50N2O
Molecular Weight887.14 g/mol
Exact Mass886.39
IUPAC NameN-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(C)cc5)c5cc(C)c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5C)cc43)cc2)cc1
InChIInChI=1S/C66H50N2O/c1-5-47-26-34-54(35-27-47)69-55-36-29-50(30-37-55)66(49-16-8-6-9-17-49)61-22-14-12-20-56(61)57-38-33-53(43-62(57)66)67(52-31-24-44(2)25-32-52)65-41-45(3)59(40-46(65)4)48-28-39-64-60(42-48)58-21-13-15-23-63(58)68(64)51-18-10-7-11-19-51/h5-43H,1H2,2-4H3
InChIKeyYBLBCWJWKSAXGU-UHFFFAOYSA-N
XLogP17.64
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.14
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine;N-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine;9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[9-[4-(2-ethylhexoxy)phenyl]carbazol-3-yl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 161460729
N-(4-tert-butylphenyl)-N-[4-[6-(4-ethenylphenoxy)-9-[4-(4-ethenylphenoxy)phenyl]carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[9-[4-(4-ethenylphenoxy)phenyl]-6-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-phenylfluoren-2-amine
CID 159443364
9-[4-(4-ethenylphenoxy)phenyl]-N-[6-[9-(4-ethenylphenyl)carbazol-3-yl]naphthalen-2-yl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine;9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-naphthalen-2-yl-9-phenylfluoren-2-amine;9-[4-(4-ethenylphenoxy)phenyl]-N-naphthalen-2-yl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159606301
N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine
CID 156682960
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
9,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;4-methyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 157202960
N,9,9-triphenyl-N-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 118640942
2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 177116819
9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 118505785
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
N-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118282619
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine?
The IUPAC name of N-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine (CID 158842147) is N-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine.
What is the SMILES notation for N-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine?
The canonical SMILES for N-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine is C=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(C)cc5)c5cc(C)c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5C)cc43)cc2)cc1.
What is the InChIKey of N-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine?
The InChIKey is YBLBCWJWKSAXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N2O/c1-5-47-26-34-54(35-27-47)69-55-36-29-50(30-37-55)66(49-16-8-6-9-17-49)61-22-14-12-20-56(61)57-38-33-53(43-62(57)66)67(52-31-24-44(2)25-32-52)65-41-45(3)59(40-46(65)4)48-28-39-64-60(42-48)58-21-13-15-23-63(58)68(64)51-18-10-7-11-19-51/h5-43H,1H2,2-4H3.
What are the key properties of N-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine?
N-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine has a molecular weight of 887.14 g/mol, XLogP of 17.64, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-methylphenyl)-9-phenylfluoren-2-amine is sourced from PubChem (CID 158842147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).