N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine

C49H37FN2O2 — CID 126635996

IUPACN-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine
SMILESCC1C=CC=CC1n1c2ccccc2c2cc(N(c3ccc(-c4ccc(F)cc4)cc3)c3ccc(-c4cccc5c4OC4=C(CCC=C4)O5)cc3)ccc21
InChIInChI=1S/C49H37FN2O2/c1-32-9-2-4-12-43(32)52-44-13-5-3-10-41(44)42-31-39(29-30-45(42)52)51(37-25-19-34(20-26-37)33-17-23-36(50)24-18-33)38-27-21-35(22-28-38)40-11-8-16-48-49(40)54-47-15-7-6-14-46(47)53-48/h2-5,7-13,15-32,43H,6,14H2,1H3
InChIKeyAWJOGHKQUGKQBW-UHFFFAOYSA-N
MW704.85 g/mol
LogP13.37
Rot. Bonds6

About N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine

N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine (PubChem CID 126635996) has the molecular formula C49H37FN2O2 and a molecular weight of 704.85 g/mol. Its IUPAC name is N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine
PubChem CID126635996
Molecular FormulaC49H37FN2O2
Molecular Weight704.85 g/mol
Exact Mass704.28
IUPAC NameN-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine
SMILESCC1C=CC=CC1n1c2ccccc2c2cc(N(c3ccc(-c4ccc(F)cc4)cc3)c3ccc(-c4cccc5c4OC4=C(CCC=C4)O5)cc3)ccc21
InChIInChI=1S/C49H37FN2O2/c1-32-9-2-4-12-43(32)52-44-13-5-3-10-41(44)42-31-39(29-30-45(42)52)51(37-25-19-34(20-26-37)33-17-23-36(50)24-18-33)38-27-21-35(22-28-38)40-11-8-16-48-49(40)54-47-15-7-6-14-46(47)53-48/h2-5,7-13,15-32,43H,6,14H2,1H3
InChIKeyAWJOGHKQUGKQBW-UHFFFAOYSA-N
XLogP13.37
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.85
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine with MolForge

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Related Compounds

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9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 154717251
9-Fluoro-4a-(3-methoxyphenyl)-6-methyl-2-(2-phenylethyl)-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazole
CID 19435687
2-N-ethyl-2-N-(4-fluorophenyl)-9-methyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine
CID 20685705
1-[(9S)-1-benzyl-9H-xanthen-9-yl]-5-fluoro-2-[(1-methylpyrrolidin-2-yl)methyl]indole
CID 21969946
1-[(9R)-1-benzyl-9H-xanthen-9-yl]-5-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole
CID 21969950
1-[(9S)-1-benzyl-9H-xanthen-9-yl]-5-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole
CID 57203849
6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-9-(methoxymethyl)-N,N-dimethylcarbazol-3-amine
CID 58160203
9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720544
9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720556
9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine
CID 59720588

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine?
The IUPAC name of N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine (CID 126635996) is N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine.
What is the SMILES notation for N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine?
The canonical SMILES for N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine is CC1C=CC=CC1n1c2ccccc2c2cc(N(c3ccc(-c4ccc(F)cc4)cc3)c3ccc(-c4cccc5c4OC4=C(CCC=C4)O5)cc3)ccc21.
What is the InChIKey of N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine?
The InChIKey is AWJOGHKQUGKQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37FN2O2/c1-32-9-2-4-12-43(32)52-44-13-5-3-10-41(44)42-31-39(29-30-45(42)52)51(37-25-19-34(20-26-37)33-17-23-36(50)24-18-33)38-27-21-35(22-28-38)40-11-8-16-48-49(40)54-47-15-7-6-14-46(47)53-48/h2-5,7-13,15-32,43H,6,14H2,1H3.
What are the key properties of N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine?
N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine has a molecular weight of 704.85 g/mol, XLogP of 13.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine is sourced from PubChem (CID 126635996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).