8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine

C52H36N2O — CID 166915541

IUPAC8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)c5oc6ccc7ccccc7c6c5c4)cc3)cc2)cc1
InChIInChI=1S/C52H36N2O/c1-5-15-37(16-6-1)38-25-27-39(28-26-38)40-29-32-45(33-30-40)53(42-18-7-2-8-19-42)46-35-48-51-47-24-14-13-17-41(47)31-34-50(51)55-52(48)49(36-46)54(43-20-9-3-10-21-43)44-22-11-4-12-23-44/h1-36H
InChIKeyKLOXLNBBISWSOB-UHFFFAOYSA-N
MW704.87 g/mol
LogP15.01
Rot. Bonds8

About 8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine

8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine (PubChem CID 166915541) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is 8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine.

Molecular Properties

Compound Name8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine
PubChem CID166915541
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC Name8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)c5oc6ccc7ccccc7c6c5c4)cc3)cc2)cc1
InChIInChI=1S/C52H36N2O/c1-5-15-37(16-6-1)38-25-27-39(28-26-38)40-29-32-45(33-30-40)53(42-18-7-2-8-19-42)46-35-48-51-47-24-14-13-17-41(47)31-34-50(51)55-52(48)49(36-46)54(43-20-9-3-10-21-43)44-22-11-4-12-23-44/h1-36H
InChIKeyKLOXLNBBISWSOB-UHFFFAOYSA-N
XLogP15.01
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine with MolForge

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Related Compounds

N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine
CID 153468543
9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
CID 166856411
N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289869
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167183316
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468594
N-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine
CID 153468575
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 169285534
N-(4-naphthalen-2-ylphenyl)-N,3-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 177131034
8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
CID 166856374
9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine
CID 166856280
8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
CID 166856399
N-[4-[4-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 157350429

Frequently Asked Questions

What is the IUPAC name of 8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine?
The IUPAC name of 8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine (CID 166915541) is 8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine.
What is the SMILES notation for 8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine?
The canonical SMILES for 8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)c5oc6ccc7ccccc7c6c5c4)cc3)cc2)cc1.
What is the InChIKey of 8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine?
The InChIKey is KLOXLNBBISWSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-5-15-37(16-6-1)38-25-27-39(28-26-38)40-29-32-45(33-30-40)53(42-18-7-2-8-19-42)46-35-48-51-47-24-14-13-17-41(47)31-34-50(51)55-52(48)49(36-46)54(43-20-9-3-10-21-43)44-22-11-4-12-23-44/h1-36H.
What are the key properties of 8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine?
8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine has a molecular weight of 704.87 g/mol, XLogP of 15.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine is sourced from PubChem (CID 166915541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).