9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine

C33H27NO — CID 145137904

IUPAC9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine
SMILESCOc1ccc(Nc2ccc3c(c2)C(C2=CC=CCC=C2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C33H27NO/c1-35-28-20-17-26(18-21-28)34-27-19-22-30-29-15-9-10-16-31(29)33(32(30)23-27,25-13-7-4-8-14-25)24-11-5-2-3-6-12-24/h2,4-23,34H,3H2,1H3
InChIKeyXEWRNEOPGWLSFP-UHFFFAOYSA-N
MW453.59 g/mol
LogP8.20
Rot. Bonds5

About 9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine

9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine (PubChem CID 145137904) has the molecular formula C33H27NO and a molecular weight of 453.59 g/mol. Its IUPAC name is 9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine.

Molecular Properties

Compound Name9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine
PubChem CID145137904
Molecular FormulaC33H27NO
Molecular Weight453.59 g/mol
Exact Mass453.21
IUPAC Name9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine
SMILESCOc1ccc(Nc2ccc3c(c2)C(C2=CC=CCC=C2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C33H27NO/c1-35-28-20-17-26(18-21-28)34-27-19-22-30-29-15-9-10-16-31(29)33(32(30)23-27,25-13-7-4-8-14-25)24-11-5-2-3-6-12-24/h2,4-23,34H,3H2,1H3
InChIKeyXEWRNEOPGWLSFP-UHFFFAOYSA-N
XLogP8.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 161077645
9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-methoxyphenyl)pyridin-2-amine;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-pyridin-2-ylpyridin-2-amine
CID 160620066
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
N-(4-tert-butylphenyl)pyridin-2-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-methoxyphenyl)pyridin-2-amine;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-pyridin-2-ylpyridin-2-amine
CID 161255688
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
9,9-diphenyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 175823474
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohexa-1,5-dien-1-ylfluorene;ethane
CID 144721270
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohepta-1,4,6-trien-1-ylfluorene;ethane
CID 145317858
2-N,7-N-bis(4-fluorophenyl)-9,9-diphenylfluorene-2,7-diamine
CID 172547033

Frequently Asked Questions

What is the IUPAC name of 9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine?
The IUPAC name of 9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine (CID 145137904) is 9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine.
What is the SMILES notation for 9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine?
The canonical SMILES for 9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine is COc1ccc(Nc2ccc3c(c2)C(C2=CC=CCC=C2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine?
The InChIKey is XEWRNEOPGWLSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27NO/c1-35-28-20-17-26(18-21-28)34-27-19-22-30-29-15-9-10-16-31(29)33(32(30)23-27,25-13-7-4-8-14-25)24-11-5-2-3-6-12-24/h2,4-23,34H,3H2,1H3.
What are the key properties of 9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine?
9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine has a molecular weight of 453.59 g/mol, XLogP of 8.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine is sourced from PubChem (CID 145137904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).