N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine

C40H27NO — CID 170675548

IUPACN,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4ccccc4)c4ccccc4)ccc4c3oc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C40H27NO/c1-4-12-28(13-5-1)29-20-22-31(23-21-29)38-37(41(32-15-6-2-7-16-32)33-17-8-3-9-18-33)27-26-36-35-25-24-30-14-10-11-19-34(30)39(35)42-40(36)38/h1-27H
InChIKeyRPHAQPSICOUQSP-UHFFFAOYSA-N
MW537.66 g/mol
LogP11.54
Rot. Bonds5

About N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine

N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 170675548) has the molecular formula C40H27NO and a molecular weight of 537.66 g/mol. Its IUPAC name is N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
PubChem CID170675548
Molecular FormulaC40H27NO
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC NameN,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4ccccc4)c4ccccc4)ccc4c3oc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C40H27NO/c1-4-12-28(13-5-1)29-20-22-31(23-21-29)38-37(41(32-15-6-2-7-16-32)33-17-8-3-9-18-33)27-26-36-35-25-24-30-14-10-11-19-34(30)39(35)42-40(36)38/h1-27H
InChIKeyRPHAQPSICOUQSP-UHFFFAOYSA-N
XLogP11.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,7-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170675342
N-(4-dibenzofuran-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675432
N-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167253410
10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675127
N-naphthalen-2-yl-19-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 171433613
N,8-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675105
N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 135277344
4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 135277582
N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 169062757
N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675430
4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 170372536
N-phenyl-N,9-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170243077

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (CID 170675548) is N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is c1ccc(-c2ccc(-c3c(N(c4ccccc4)c4ccccc4)ccc4c3oc3c5ccccc5ccc43)cc2)cc1.
What is the InChIKey of N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is RPHAQPSICOUQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-4-12-28(13-5-1)29-20-22-31(23-21-29)38-37(41(32-15-6-2-7-16-32)33-17-8-3-9-18-33)27-26-36-35-25-24-30-14-10-11-19-34(30)39(35)42-40(36)38/h1-27H.
What are the key properties of N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 537.66 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 170675548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).