N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine

C51H37NO — CID 167285621

IUPACN-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4)c3-c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C51H37NO/c1-51(2)43-25-11-9-20-39(43)41-23-14-27-45(49(41)51)52(46-28-15-24-42-40-21-10-12-29-47(40)53-50(42)46)44-26-13-22-38(36-18-7-4-8-19-36)48(44)37-32-30-35(31-33-37)34-16-5-3-6-17-34/h3-33H,1-2H3
InChIKeyRGDAFCHITALTKG-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.36
Rot. Bonds6

About N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine

N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 167285621) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID167285621
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4)c3-c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C51H37NO/c1-51(2)43-25-11-9-20-39(43)41-23-14-27-45(49(41)51)52(46-28-15-24-42-40-21-10-12-29-47(40)53-50(42)46)44-26-13-22-38(36-18-7-4-8-19-36)48(44)37-32-30-35(31-33-37)34-16-5-3-6-17-34/h3-33H,1-2H3
InChIKeyRGDAFCHITALTKG-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-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168790978
N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069590
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788313
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-amine
CID 170215746
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-4-amine
CID 166938750
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 169223637
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001
N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168790337
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (CID 167285621) is N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is CC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4)c3-c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is RGDAFCHITALTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)43-25-11-9-20-39(43)41-23-14-27-45(49(41)51)52(46-28-15-24-42-40-21-10-12-29-47(40)53-50(42)46)44-26-13-22-38(36-18-7-4-8-19-36)48(44)37-32-30-35(31-33-37)34-16-5-3-6-17-34/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-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-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 167285621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).