N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C51H37NO — CID 167293247

IUPACN-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccccc5)c4)c3-c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C51H37NO/c1-51(2)45-24-11-9-21-41(45)42-30-28-39(33-46(42)51)52(38-19-7-4-8-20-38)47-25-14-23-40(36-18-13-17-35(31-36)34-15-5-3-6-16-34)50(47)37-27-29-44-43-22-10-12-26-48(43)53-49(44)32-37/h3-33H,1-2H3
InChIKeyQKVWRXYRNCIFBG-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.36
Rot. Bonds6

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

N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 167293247) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID167293247
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccccc5)c4)c3-c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C51H37NO/c1-51(2)45-24-11-9-21-41(45)42-30-28-39(33-46(42)51)52(38-19-7-4-8-20-38)47-25-14-23-40(36-18-13-17-35(31-36)34-15-5-3-6-16-34)50(47)37-27-29-44-43-22-10-12-26-48(43)53-49(44)32-37/h3-33H,1-2H3
InChIKeyQKVWRXYRNCIFBG-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-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine
CID 138455866
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170666163
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293276
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 139504762
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168788681
N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158397284
2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665632
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 168771541
9,9-dimethyl-N-phenyl-N-[2-phenyl-3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167293244

Frequently Asked Questions

What is the IUPAC name of N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 167293247) is N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccccc5)c4)c3-c3ccc4c(c3)oc3ccccc34)cc21.
What is the InChIKey of N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is QKVWRXYRNCIFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)45-24-11-9-21-41(45)42-30-28-39(33-46(42)51)52(38-19-7-4-8-20-38)47-25-14-23-40(36-18-13-17-35(31-36)34-15-5-3-6-16-34)50(47)37-27-29-44-43-22-10-12-26-48(43)53-49(44)32-37/h3-33H,1-2H3.
What are the key properties of N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-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-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 167293247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).