9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine

C61H42F2N4 — CID 146670324

IUPAC9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine
SMILESCC12C=CC(N(c3c#cc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)cc4)cc3)c3ccccc3)=CC1c1ccccc1N2c1ccc(F)cc1
InChIInChI=1S/C61H42F2N4/c1-61-39-38-53(41-57(61)55-17-9-11-19-60(55)67(61)51-34-26-45(63)27-35-51)65(47-14-6-3-7-15-47)49-30-22-43(23-31-49)42-20-28-48(29-21-42)64(46-12-4-2-5-13-46)52-36-37-59-56(40-52)54-16-8-10-18-58(54)66(59)50-32-24-44(62)25-33-50/h2-22,24-30,32-41,57H,1H3
InChIKeyQMOIJCVWLNZAOD-UHFFFAOYSA-N
MW869.03 g/mol
LogP16.09
Rot. Bonds9

About 9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine

9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine (PubChem CID 146670324) has the molecular formula C61H42F2N4 and a molecular weight of 869.03 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine.

Molecular Properties

Compound Name9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine
PubChem CID146670324
Molecular FormulaC61H42F2N4
Molecular Weight869.03 g/mol
Exact Mass868.34
IUPAC Name9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine
SMILESCC12C=CC(N(c3c#cc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)cc4)cc3)c3ccccc3)=CC1c1ccccc1N2c1ccc(F)cc1
InChIInChI=1S/C61H42F2N4/c1-61-39-38-53(41-57(61)55-17-9-11-19-60(55)67(61)51-34-26-45(63)27-35-51)65(47-14-6-3-7-15-47)49-30-22-43(23-31-49)42-20-28-48(29-21-42)64(46-12-4-2-5-13-46)52-36-37-59-56(40-52)54-16-8-10-18-58(54)66(59)50-32-24-44(62)25-33-50/h2-22,24-30,32-41,57H,1H3
InChIKeyQMOIJCVWLNZAOD-UHFFFAOYSA-N
XLogP16.09
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.03
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine with MolForge

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Related Compounds

1-N-(9a-methyl-9-phenyl-4aH-carbazol-3-yl)-1-N,4-N-di(anthracen-2-yl)-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 163422933
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
9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine
CID 163706224
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
N,9-bis(4-fluorophenyl)-N-[4-(4-triphenylgermylphenyl)phenyl]carbazol-3-amine
CID 140704816
N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
CID 138528996
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549150
9-[6-[6-(N-[4-[9-[6-carbazol-9-yl-9-[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)phenyl]-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]phenyl]anilino)-9a-methyl-3-(N-phenylanilino)-4aH-carbazol-9-yl]-4-(3-pyridin-4-ylphenyl)-3-pyridinyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 163677744
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)carbazol-2-yl]-4-methylanilino)phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 176642990

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine?
The IUPAC name of 9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine (CID 146670324) is 9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine.
What is the SMILES notation for 9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine?
The canonical SMILES for 9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine is CC12C=CC(N(c3c#cc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)cc4)cc3)c3ccccc3)=CC1c1ccccc1N2c1ccc(F)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine?
The InChIKey is QMOIJCVWLNZAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42F2N4/c1-61-39-38-53(41-57(61)55-17-9-11-19-60(55)67(61)51-34-26-45(63)27-35-51)65(47-14-6-3-7-15-47)49-30-22-43(23-31-49)42-20-28-48(29-21-42)64(46-12-4-2-5-13-46)52-36-37-59-56(40-52)54-16-8-10-18-58(54)66(59)50-32-24-44(62)25-33-50/h2-22,24-30,32-41,57H,1H3.
What are the key properties of 9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine?
9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine has a molecular weight of 869.03 g/mol, XLogP of 16.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)-9a-methyl-4aH-carbazol-3-yl]anilino)cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-N-phenylcarbazol-3-amine is sourced from PubChem (CID 146670324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).