N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine

C34H31N — CID 145303021

IUPACN-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine
SMILESCN(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cc(C2=CCCC=C2)ccc1-c1ccccc1
InChIInChI=1S/C34H31N/c1-34(2)31-17-11-10-16-29(31)30-21-19-27(23-32(30)34)35(3)33-22-26(24-12-6-4-7-13-24)18-20-28(33)25-14-8-5-9-15-25/h5-6,8-23H,4,7H2,1-3H3
InChIKeyFPOUSQJYYXYWNV-UHFFFAOYSA-N
MW453.63 g/mol
LogP9.16
Rot. Bonds4

About N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine

N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine (PubChem CID 145303021) has the molecular formula C34H31N and a molecular weight of 453.63 g/mol. Its IUPAC name is N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine
PubChem CID145303021
Molecular FormulaC34H31N
Molecular Weight453.63 g/mol
Exact Mass453.25
IUPAC NameN-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine
SMILESCN(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cc(C2=CCCC=C2)ccc1-c1ccccc1
InChIInChI=1S/C34H31N/c1-34(2)31-17-11-10-16-29(31)30-21-19-27(23-32(30)34)35(3)33-22-26(24-12-6-4-7-13-24)18-20-28(33)25-14-8-5-9-15-25/h5-6,8-23H,4,7H2,1-3H3
InChIKeyFPOUSQJYYXYWNV-UHFFFAOYSA-N
XLogP9.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-N,2-N-bis(9,9-dimethylfluoren-2-yl)-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 139322169
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-amine
CID 142541184
4-cyclohexa-1,5-dien-1-yl-N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 146247654
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine
CID 123612637
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
N,9,9-trimethyl-N-(2-methyl-4-phenylphenyl)fluoren-2-amine
CID 149403769
N,9,9-trimethyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 166028580
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
3-(7-cyclohexa-1,5-dien-1-yl-9,9-dimethylfluoren-3-yl)-N-[4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-phenylaniline;propane
CID 156827524
5-cyclohexa-1,5-dien-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167252538
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[3-cyclohexa-1,3-dien-1-yl-4-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 134194351
1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine
CID 58903670

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine?
The IUPAC name of N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine (CID 145303021) is N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine.
What is the SMILES notation for N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine?
The canonical SMILES for N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine is CN(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cc(C2=CCCC=C2)ccc1-c1ccccc1.
What is the InChIKey of N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine?
The InChIKey is FPOUSQJYYXYWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N/c1-34(2)31-17-11-10-16-29(31)30-21-19-27(23-32(30)34)35(3)33-22-26(24-12-6-4-7-13-24)18-20-28(33)25-14-8-5-9-15-25/h5-6,8-23H,4,7H2,1-3H3.
What are the key properties of N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine?
N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine has a molecular weight of 453.63 g/mol, XLogP of 9.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine is sourced from PubChem (CID 145303021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).