7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

C53H37NO — CID 155440833

IUPAC7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESC1=CC=C(c2cccc3oc4c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4c23)CC(c2ccccc2)=C1
InChIInChI=1S/C53H37NO/c1-4-15-37(16-5-1)40-27-31-44(32-28-40)54(45-33-29-41(30-34-45)38-17-6-2-7-18-38)50-36-49-52-46(43-22-11-10-21-42(35-43)39-19-8-3-9-20-39)25-14-26-51(52)55-53(49)48-24-13-12-23-47(48)50/h1-34,36H,35H2
InChIKeyAIMVUFLSOCTBNP-UHFFFAOYSA-N
MW703.89 g/mol
LogP14.97
Rot. Bonds7

About 7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155440833) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is 7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound Name7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID155440833
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC Name7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESC1=CC=C(c2cccc3oc4c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4c23)CC(c2ccccc2)=C1
InChIInChI=1S/C53H37NO/c1-4-15-37(16-5-1)40-27-31-44(32-28-40)54(45-33-29-41(30-34-45)38-17-6-2-7-18-38)50-36-49-52-46(43-22-11-10-21-42(35-43)39-19-8-3-9-20-39)25-14-26-51(52)55-53(49)48-24-13-12-23-47(48)50/h1-34,36H,35H2
InChIKeyAIMVUFLSOCTBNP-UHFFFAOYSA-N
XLogP14.97
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423690
7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423525
7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423526
N-(2-phenylphenyl)-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423438
N,7-diphenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423378
7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155424007
N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423922
N-dibenzofuran-4-yl-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423986
N-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 155440720
N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423471
N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423671
8-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167143670

Frequently Asked Questions

What is the IUPAC name of 7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of 7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (CID 155440833) is 7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for 7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for 7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is C1=CC=C(c2cccc3oc4c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4c23)CC(c2ccccc2)=C1.
What is the InChIKey of 7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is AIMVUFLSOCTBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-4-15-37(16-5-1)40-27-31-44(32-28-40)54(45-33-29-41(30-34-45)38-17-6-2-7-18-38)50-36-49-52-46(43-22-11-10-21-42(35-43)39-19-8-3-9-20-39)25-14-26-51(52)55-53(49)48-24-13-12-23-47(48)50/h1-34,36H,35H2.
What are the key properties of 7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 703.89 g/mol, XLogP of 14.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-phenylcyclohepta-1,3,5-trien-1-yl)-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155440833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).