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

C51H37NO — CID 168788313

IUPACN-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c3cccc4oc5ccccc5c34)c21
InChIInChI=1S/C51H37NO/c1-51(2)42-28-13-11-23-38(42)40-27-16-31-45(50(40)51)52(44-30-17-33-47-49(44)41-25-12-14-32-46(41)53-47)43-29-15-26-37(35-20-7-4-8-21-35)48(43)39-24-10-9-22-36(39)34-18-5-3-6-19-34/h3-33H,1-2H3
InChIKeyZRNLZAAEOAONGB-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.36
Rot. Bonds6

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

N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 168788313) 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-(2-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID168788313
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c3cccc4oc5ccccc5c34)c21
InChIInChI=1S/C51H37NO/c1-51(2)42-28-13-11-23-38(42)40-27-16-31-45(50(40)51)52(44-30-17-33-47-49(44)41-25-12-14-32-46(41)53-47)43-29-15-26-37(35-20-7-4-8-21-35)48(43)39-24-10-9-22-36(39)34-18-5-3-6-19-34/h3-33H,1-2H3
InChIKeyZRNLZAAEOAONGB-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-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790894
N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 169223637
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788461
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790854
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 176583226
N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167285621
N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069590
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 167285354
N-[4-(9,9-dimethyl-1-phenylfluoren-4-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 135271066
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine
CID 177063669
N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285876

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 168788313) is N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c3cccc4oc5ccccc5c34)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is ZRNLZAAEOAONGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)42-28-13-11-23-38(42)40-27-16-31-45(50(40)51)52(44-30-17-33-47-49(44)41-25-12-14-32-46(41)53-47)43-29-15-26-37(35-20-7-4-8-21-35)48(43)39-24-10-9-22-36(39)34-18-5-3-6-19-34/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]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-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 168788313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).