N-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine

C62H50F2N4 — CID 175611734

IUPACN-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine
SMILESCC1CC2C(C=C1N(c1ccc(F)cc1)c1ccc(C3=CC(C)C(N(c4ccc(F)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)C=C3)cc1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C62H50F2N4/c1-41-37-44(23-35-57(41)66(51-32-26-46(64)27-33-51)52-34-36-60-55(39-52)53-17-9-11-19-58(53)67(60)47-13-5-3-6-14-47)43-21-28-49(29-22-43)65(50-30-24-45(63)25-31-50)61-40-56-54-18-10-12-20-59(54)68(62(56)38-42(61)2)48-15-7-4-8-16-48/h3-37,39-42,56-57,62H,38H2,1-2H3
InChIKeyGYPFXBWJANVWEC-UHFFFAOYSA-N
MW889.11 g/mol
LogP16.22
Rot. Bonds9

About N-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine

N-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine (PubChem CID 175611734) has the molecular formula C62H50F2N4 and a molecular weight of 889.11 g/mol. Its IUPAC name is N-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine
PubChem CID175611734
Molecular FormulaC62H50F2N4
Molecular Weight889.11 g/mol
Exact Mass888.40
IUPAC NameN-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine
SMILESCC1CC2C(C=C1N(c1ccc(F)cc1)c1ccc(C3=CC(C)C(N(c4ccc(F)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)C=C3)cc1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C62H50F2N4/c1-41-37-44(23-35-57(41)66(51-32-26-46(64)27-33-51)52-34-36-60-55(39-52)53-17-9-11-19-58(53)67(60)47-13-5-3-6-14-47)43-21-28-49(29-22-43)65(50-30-24-45(63)25-31-50)61-40-56-54-18-10-12-20-59(54)68(62(56)38-42(61)2)48-15-7-4-8-16-48/h3-37,39-42,56-57,62H,38H2,1-2H3
InChIKeyGYPFXBWJANVWEC-UHFFFAOYSA-N
XLogP16.22
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.11
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 139551277
9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine
CID 166670884
9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine
CID 163888660
1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 89234982
8-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-5-N,5-N,8-N-tris(9-phenylcarbazol-3-yl)benzo[c]phenanthrene-5,8-diamine
CID 90892132
5-N-(6,9-diphenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,3-N-bis(6,9-diphenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 89235026
9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine
CID 59844874
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
9-cyclohexa-2,4-dien-1-yl-3-N,6-N-diphenyl-3-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-N-(9-phenylcarbazol-3-yl)carbazole-3,6-diamine
CID 163446293

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine (CID 175611734) is N-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine is CC1CC2C(C=C1N(c1ccc(F)cc1)c1ccc(C3=CC(C)C(N(c4ccc(F)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)C=C3)cc1)c1ccccc1N2c1ccccc1.
What is the InChIKey of N-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine?
The InChIKey is GYPFXBWJANVWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50F2N4/c1-41-37-44(23-35-57(41)66(51-32-26-46(64)27-33-51)52-34-36-60-55(39-52)53-17-9-11-19-58(53)67(60)47-13-5-3-6-14-47)43-21-28-49(29-22-43)65(50-30-24-45(63)25-31-50)61-40-56-54-18-10-12-20-59(54)68(62(56)38-42(61)2)48-15-7-4-8-16-48/h3-37,39-42,56-57,62H,38H2,1-2H3.
What are the key properties of N-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine?
N-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine has a molecular weight of 889.11 g/mol, XLogP of 16.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 175611734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).