9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine

C55H41NO — CID 144660484

IUPAC9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine
SMILESCc1cc(N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2ccc3c(c2)C(C2=CC=CCC2)(c2ccccc2)c2ccccc2-3)c2ccccc2c1C
InChIInChI=1S/C55H41NO/c1-36-33-52(47-25-10-9-23-43(47)37(36)2)56(41-22-15-17-38(34-41)44-27-16-28-49-48-26-12-14-30-53(48)57-54(44)49)42-31-32-46-45-24-11-13-29-50(45)55(51(46)35-42,39-18-5-3-6-19-39)40-20-7-4-8-21-40/h3-7,9-20,22-35H,8,21H2,1-2H3
InChIKeyFWKCVKUSRREQMV-UHFFFAOYSA-N
MW731.94 g/mol
LogP15.08
Rot. Bonds6

About 9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine

9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine (PubChem CID 144660484) has the molecular formula C55H41NO and a molecular weight of 731.94 g/mol. Its IUPAC name is 9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine.

Molecular Properties

Compound Name9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine
PubChem CID144660484
Molecular FormulaC55H41NO
Molecular Weight731.94 g/mol
Exact Mass731.32
IUPAC Name9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine
SMILESCc1cc(N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2ccc3c(c2)C(C2=CC=CCC2)(c2ccccc2)c2ccccc2-3)c2ccccc2c1C
InChIInChI=1S/C55H41NO/c1-36-33-52(47-25-10-9-23-43(47)37(36)2)56(41-22-15-17-38(34-41)44-27-16-28-49-48-26-12-14-30-53(48)57-54(44)49)42-31-32-46-45-24-11-13-29-50(45)55(51(46)35-42,39-18-5-3-6-19-39)40-20-7-4-8-21-40/h3-7,9-20,22-35H,8,21H2,1-2H3
InChIKeyFWKCVKUSRREQMV-UHFFFAOYSA-N
XLogP15.08
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.94
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234337
N-(4-dibenzofuran-4-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 118298114
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158287693
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411
N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 144583099
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
9,9-diphenyl-N-(2-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)fluoren-2-amine
CID 171452110
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
N-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine
CID 171453270
4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 169022143
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158851525

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine?
The IUPAC name of 9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine (CID 144660484) is 9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine.
What is the SMILES notation for 9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine?
The canonical SMILES for 9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine is Cc1cc(N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2ccc3c(c2)C(C2=CC=CCC2)(c2ccccc2)c2ccccc2-3)c2ccccc2c1C.
What is the InChIKey of 9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine?
The InChIKey is FWKCVKUSRREQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41NO/c1-36-33-52(47-25-10-9-23-43(47)37(36)2)56(41-22-15-17-38(34-41)44-27-16-28-49-48-26-12-14-30-53(48)57-54(44)49)42-31-32-46-45-24-11-13-29-50(45)55(51(46)35-42,39-18-5-3-6-19-39)40-20-7-4-8-21-40/h3-7,9-20,22-35H,8,21H2,1-2H3.
What are the key properties of 9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine?
9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine has a molecular weight of 731.94 g/mol, XLogP of 15.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine is sourced from PubChem (CID 144660484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).