N-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

C49H33NO — CID 155440720

IUPACN-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESC1=CCC(c2cc3c(oc4cccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)cc5)c43)c3ccccc23)=C1
InChIInChI=1S/C49H33NO/c1-2-12-33(13-3-1)34-24-28-38(29-25-34)50(46-22-10-17-35-14-6-7-18-40(35)46)39-30-26-37(27-31-39)41-21-11-23-47-48(41)45-32-44(36-15-4-5-16-36)42-19-8-9-20-43(42)49(45)51-47/h1-15,17-32H,16H2
InChIKeyUPFQTJZWEULMFN-UHFFFAOYSA-N
MW651.81 g/mol
LogP14.04
Rot. Bonds6

About N-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

N-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 155440720) has the molecular formula C49H33NO and a molecular weight of 651.81 g/mol. Its IUPAC name is N-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID155440720
Molecular FormulaC49H33NO
Molecular Weight651.81 g/mol
Exact Mass651.26
IUPAC NameN-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESC1=CCC(c2cc3c(oc4cccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)cc5)c43)c3ccccc23)=C1
InChIInChI=1S/C49H33NO/c1-2-12-33(13-3-1)34-24-28-38(29-25-34)50(46-22-10-17-35-14-6-7-18-40(35)46)39-30-26-37(27-31-39)41-21-11-23-47-48(41)45-32-44(36-15-4-5-16-36)42-19-8-9-20-43(42)49(45)51-47/h1-15,17-32H,16H2
InChIKeyUPFQTJZWEULMFN-UHFFFAOYSA-N
XLogP14.04
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423687
N-naphthalen-1-yl-5-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423840
N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397130
N-naphthalen-1-yl-7-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423929
N-(2-phenylphenyl)-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423438
7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423526
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423267
5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423502
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331276
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 167330365
7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423690

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 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) is N-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is C1=CCC(c2cc3c(oc4cccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)cc5)c43)c3ccccc23)=C1.
What is the InChIKey of N-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is UPFQTJZWEULMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO/c1-2-12-33(13-3-1)34-24-28-38(29-25-34)50(46-22-10-17-35-14-6-7-18-40(35)46)39-30-26-37(27-31-39)41-21-11-23-47-48(41)45-32-44(36-15-4-5-16-36)42-19-8-9-20-43(42)49(45)51-47/h1-15,17-32H,16H2.
What are the key properties of N-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
N-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 651.81 g/mol, XLogP of 14.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 155440720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).