8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine

C52H36N2O — CID 166856795

IUPAC8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c4c3oc3ccc5ccccc5c34)c2)cc1
InChIInChI=1S/C52H36N2O/c1-5-17-37(18-6-1)40-22-15-28-44(35-40)53(42-24-9-3-10-25-42)47-32-33-48(52-51(47)50-46-30-14-13-21-39(46)31-34-49(50)55-52)54(43-26-11-4-12-27-43)45-29-16-23-41(36-45)38-19-7-2-8-20-38/h1-36H
InChIKeyORMTYGPDXREHCB-UHFFFAOYSA-N
MW704.87 g/mol
LogP15.01
Rot. Bonds8

About 8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine

8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine (PubChem CID 166856795) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is 8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine.

Molecular Properties

Compound Name8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine
PubChem CID166856795
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC Name8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c4c3oc3ccc5ccccc5c34)c2)cc1
InChIInChI=1S/C52H36N2O/c1-5-17-37(18-6-1)40-22-15-28-44(35-40)53(42-24-9-3-10-25-42)47-32-33-48(52-51(47)50-46-30-14-13-21-39(46)31-34-49(50)55-52)54(43-26-11-4-12-27-43)45-29-16-23-41(36-45)38-19-7-2-8-20-38/h1-36H
InChIKeyORMTYGPDXREHCB-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

N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289869
1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine
CID 166856777
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
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
3-(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-yl)-N-[3-(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-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 88567931
11-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176795613
11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176795822
8-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795645
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 169285534
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738120
N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-6-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289739
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167183316

Frequently Asked Questions

What is the IUPAC name of 8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine?
The IUPAC name of 8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine (CID 166856795) is 8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine.
What is the SMILES notation for 8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine?
The canonical SMILES for 8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c4c3oc3ccc5ccccc5c34)c2)cc1.
What is the InChIKey of 8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine?
The InChIKey is ORMTYGPDXREHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-5-17-37(18-6-1)40-22-15-28-44(35-40)53(42-24-9-3-10-25-42)47-32-33-48(52-51(47)50-46-30-14-13-21-39(46)31-34-49(50)55-52)54(43-26-11-4-12-27-43)45-29-16-23-41(36-45)38-19-7-2-8-20-38/h1-36H.
What are the key properties of 8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine?
8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-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 8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine is sourced from PubChem (CID 166856795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).