N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

C51H37NO — CID 169039822

IUPACN-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5oc6ccccc6c45)cc3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C51H37NO/c1-51(2)44-32-27-38(33-43(44)49-41(18-11-19-45(49)51)37-15-7-4-8-16-37)36-25-30-40(31-26-36)52(39-28-23-35(24-29-39)34-13-5-3-6-14-34)46-20-12-22-48-50(46)42-17-9-10-21-47(42)53-48/h3-33H,1-2H3
InChIKeyWSNNKBVJWBYTRB-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.36
Rot. Bonds6

About N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 169039822) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID169039822
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5oc6ccccc6c45)cc3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C51H37NO/c1-51(2)44-32-27-38(33-43(44)49-41(18-11-19-45(49)51)37-15-7-4-8-16-37)36-25-30-40(31-26-36)52(39-28-23-35(24-29-39)34-13-5-3-6-14-34)46-20-12-22-48-50(46)42-17-9-10-21-47(42)53-48/h3-33H,1-2H3
InChIKeyWSNNKBVJWBYTRB-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.86
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788461
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine
CID 170666178
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine
CID 169039724
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine
CID 170722738
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline
CID 169039821
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine
CID 176583446
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167484522
N-[3-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-2-yl)-5-phenylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167118083
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 169039822) is N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is CC1(C)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5oc6ccccc6c45)cc3)cc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is WSNNKBVJWBYTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)44-32-27-38(33-43(44)49-41(18-11-19-45(49)51)37-15-7-4-8-16-37)36-25-30-40(31-26-36)52(39-28-23-35(24-29-39)34-13-5-3-6-14-34)46-20-12-22-48-50(46)42-17-9-10-21-47(42)53-48/h3-33H,1-2H3.
What are the key properties of N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 679.86 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 169039822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).