N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine

C51H37NO — CID 176583411

IUPACN-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3-c3cccc4oc5ccccc5c34)c21
InChIInChI=1S/C51H37NO/c1-51(2)44-26-12-9-21-39(44)42-25-15-28-46(50(42)51)52(38-32-36(34-17-5-3-6-18-34)31-37(33-38)35-19-7-4-8-20-35)45-27-13-10-22-40(45)41-24-16-30-48-49(41)43-23-11-14-29-47(43)53-48/h3-33H,1-2H3
InChIKeyWPWOEPKEUIKNPX-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.36
Rot. Bonds6

About N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine

N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine (PubChem CID 176583411) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine
PubChem CID176583411
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3-c3cccc4oc5ccccc5c34)c21
InChIInChI=1S/C51H37NO/c1-51(2)44-26-12-9-21-39(44)42-25-15-28-46(50(42)51)52(38-32-36(34-17-5-3-6-18-34)31-37(33-38)35-19-7-4-8-20-35)45-27-13-10-22-40(45)41-24-16-30-48-49(41)43-23-11-14-29-47(43)53-48/h3-33H,1-2H3
InChIKeyWPWOEPKEUIKNPX-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

9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-1-amine
CID 166938674
N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine
CID 176763185
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine
CID 168839481
9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)fluoren-1-amine
CID 168807505
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167324779
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583353
N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839701
N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069590
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine
CID 176583446
N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788313
7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine
CID 134392920

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine (CID 176583411) is N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3-c3cccc4oc5ccccc5c34)c21.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine?
The InChIKey is WPWOEPKEUIKNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)44-26-12-9-21-39(44)42-25-15-28-46(50(42)51)52(38-32-36(34-17-5-3-6-18-34)31-37(33-38)35-19-7-4-8-20-35)45-27-13-10-22-40(45)41-24-16-30-48-49(41)43-23-11-14-29-47(43)53-48/h3-33H,1-2H3.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine?
N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-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-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine is sourced from PubChem (CID 176583411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).