N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline

C50H35NO — CID 118405155

IUPACN-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3cccc4c3oc3c5c(ccc34)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc2)c1
InChIInChI=1S/C50H35NO/c1-34-15-13-22-40(33-34)51(38-20-9-4-10-21-38)39-29-27-35(28-30-39)41-24-14-25-42-43-31-32-46-47(49(43)52-48(41)42)44-23-11-12-26-45(44)50(46,36-16-5-2-6-17-36)37-18-7-3-8-19-37/h2-33H,1H3
InChIKeyDKQASNQPZLNWAS-UHFFFAOYSA-N
MW665.84 g/mol
LogP13.39
Rot. Bonds6

About N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline

N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline (PubChem CID 118405155) has the molecular formula C50H35NO and a molecular weight of 665.84 g/mol. Its IUPAC name is N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline
PubChem CID118405155
Molecular FormulaC50H35NO
Molecular Weight665.84 g/mol
Exact Mass665.27
IUPAC NameN-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3cccc4c3oc3c5c(ccc34)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc2)c1
InChIInChI=1S/C50H35NO/c1-34-15-13-22-40(33-34)51(38-20-9-4-10-21-38)39-29-27-35(28-30-39)41-24-14-25-42-43-31-32-46-47(49(43)52-48(41)42)44-23-11-12-26-45(44)50(46,36-16-5-2-6-17-36)37-18-7-3-8-19-37/h2-33H,1H3
InChIKeyDKQASNQPZLNWAS-UHFFFAOYSA-N
XLogP13.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 164724700
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 177121964
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen
CID 158018181
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177121766
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
CID 169302165
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 164769049
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 177121793
5-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-diphenylfluoren-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 122552040
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(6-methyldibenzofuran-4-yl)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 162209863
N-[4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 161068625

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline?
The IUPAC name of N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline (CID 118405155) is N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline.
What is the SMILES notation for N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline?
The canonical SMILES for N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline is Cc1cccc(N(c2ccccc2)c2ccc(-c3cccc4c3oc3c5c(ccc34)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc2)c1.
What is the InChIKey of N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline?
The InChIKey is DKQASNQPZLNWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO/c1-34-15-13-22-40(33-34)51(38-20-9-4-10-21-38)39-29-27-35(28-30-39)41-24-14-25-42-43-31-32-46-47(49(43)52-48(41)42)44-23-11-12-26-45(44)50(46,36-16-5-2-6-17-36)37-18-7-3-8-19-37/h2-33H,1H3.
What are the key properties of N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline?
N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline has a molecular weight of 665.84 g/mol, XLogP of 13.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline is sourced from PubChem (CID 118405155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).