9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine

C52H36N2O — CID 166856411

IUPAC9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H36N2O/c1-5-15-37(16-6-1)39-25-30-44(31-26-39)53(42-20-9-3-10-21-42)46-35-48(52-50(36-46)55-49-34-29-41-19-13-14-24-47(41)51(49)52)54(43-22-11-4-12-23-43)45-32-27-40(28-33-45)38-17-7-2-8-18-38/h1-36H
InChIKeyANZSTYGSBGHMJP-UHFFFAOYSA-N
MW704.87 g/mol
LogP15.01
Rot. Bonds8

About 9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine

9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine (PubChem CID 166856411) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is 9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine.

Molecular Properties

Compound Name9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
PubChem CID166856411
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC Name9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H36N2O/c1-5-15-37(16-6-1)39-25-30-44(31-26-39)53(42-20-9-3-10-21-42)46-35-48(52-50(36-46)55-49-34-29-41-19-13-14-24-47(41)51(49)52)54(43-22-11-4-12-23-43)45-32-27-40(28-33-45)38-17-7-2-8-18-38/h1-36H
InChIKeyANZSTYGSBGHMJP-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

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Related Compounds

11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
CID 166856034
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
9-N-dibenzothiophen-4-yl-11-N-phenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
CID 166856138
11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170675685
2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine
CID 162490088
8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine
CID 166915541
N-[4-[4-(N-phenylanilino)naphthalen-1-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-9-amine
CID 153468645
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]-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 153468588
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-9-amine
CID 153468577
N-[4-[4-[N-(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-yl)anilino]naphthalen-1-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-9-amine
CID 153468639
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
1-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-3-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,3-diamine
CID 166916411

Frequently Asked Questions

What is the IUPAC name of 9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine?
The IUPAC name of 9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine (CID 166856411) is 9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine.
What is the SMILES notation for 9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine?
The canonical SMILES for 9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of 9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine?
The InChIKey is ANZSTYGSBGHMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-5-15-37(16-6-1)39-25-30-44(31-26-39)53(42-20-9-3-10-21-42)46-35-48(52-50(36-46)55-49-34-29-41-19-13-14-24-47(41)51(49)52)54(43-22-11-4-12-23-43)45-32-27-40(28-33-45)38-17-7-2-8-18-38/h1-36H.
What are the key properties of 9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine?
9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-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 9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine is sourced from PubChem (CID 166856411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).