N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C39H31NO — CID 166820061

IUPACN-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)ccc2C2C=CC=CC21
InChIInChI=1S/C39H31NO/c1-39(2)35-14-8-6-12-31(35)32-22-20-29(24-36(32)39)40(28-18-16-27(17-19-28)26-10-4-3-5-11-26)30-21-23-34-33-13-7-9-15-37(33)41-38(34)25-30/h3-25,31,35H,1-2H3
InChIKeyUPBVTXFKJPVXSL-UHFFFAOYSA-N
MW529.68 g/mol
LogP10.84
Rot. Bonds4

About N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 166820061) has the molecular formula C39H31NO and a molecular weight of 529.68 g/mol. Its IUPAC name is N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID166820061
Molecular FormulaC39H31NO
Molecular Weight529.68 g/mol
Exact Mass529.24
IUPAC NameN-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)ccc2C2C=CC=CC21
InChIInChI=1S/C39H31NO/c1-39(2)35-14-8-6-12-31(35)32-22-20-29(24-36(32)39)40(28-18-16-27(17-19-28)26-10-4-3-5-11-26)30-21-23-34-33-13-7-9-15-37(33)41-38(34)25-30/h3-25,31,35H,1-2H3
InChIKeyUPBVTXFKJPVXSL-UHFFFAOYSA-N
XLogP10.84
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.68
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 145141242
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 142481358
N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 167143301
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
9,9-dimethyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-3-amine
CID 170424688
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 166820061) is N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)ccc2C2C=CC=CC21.
What is the InChIKey of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is UPBVTXFKJPVXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31NO/c1-39(2)35-14-8-6-12-31(35)32-22-20-29(24-36(32)39)40(28-18-16-27(17-19-28)26-10-4-3-5-11-26)30-21-23-34-33-13-7-9-15-37(33)41-38(34)25-30/h3-25,31,35H,1-2H3.
What are the key properties of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 529.68 g/mol, XLogP of 10.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 166820061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).