2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine

C46H32N2O — CID 166856527

IUPAC2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cc3c(cc2N(c2ccccc2)c2ccccc2)oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C46H32N2O/c1-5-17-33(18-6-1)39-27-15-16-28-42(39)48(38-25-11-4-12-26-38)43-31-41-40-29-34-19-13-14-20-35(34)30-45(40)49-46(41)32-44(43)47(36-21-7-2-8-22-36)37-23-9-3-10-24-37/h1-32H
InChIKeyUOKKVGRZRYXZAI-UHFFFAOYSA-N
MW628.78 g/mol
LogP13.35
Rot. Bonds7

About 2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine

2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine (PubChem CID 166856527) has the molecular formula C46H32N2O and a molecular weight of 628.78 g/mol. Its IUPAC name is 2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine
PubChem CID166856527
Molecular FormulaC46H32N2O
Molecular Weight628.78 g/mol
Exact Mass628.25
IUPAC Name2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cc3c(cc2N(c2ccccc2)c2ccccc2)oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C46H32N2O/c1-5-17-33(18-6-1)39-27-15-16-28-42(39)48(38-25-11-4-12-26-38)43-31-41-40-29-34-19-13-14-20-35(34)30-45(40)49-46(41)32-44(43)47(36-21-7-2-8-22-36)37-23-9-3-10-24-37/h1-32H
InChIKeyUOKKVGRZRYXZAI-UHFFFAOYSA-N
XLogP13.35
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,3-N-diphenyl-2-N,3-N-bis(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine
CID 166856649
9-N,23-N-diphenyl-9-N,23-N-bis(2-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155361206
7-N,17-N,17-N-tris(2-phenylphenyl)-7-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753210
N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 167086371
17-N-(4-tert-butylphenyl)-17-N-[2-(4-tert-butylphenyl)phenyl]-7-N-phenyl-7-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753249
17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-diphenyl-7-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753193
7-N-[2-(4-tert-butylphenyl)phenyl]-7-N-phenyl-17-N-(2-phenylphenyl)-17-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753134
7-N,17-N-bis(2-phenylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753231
N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-naphtho[2,3-b][1]benzofuran-2-ylaniline
CID 174277323
17-N,17-N-bis(2-phenylphenyl)-7-N-(4-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753218
7-N,17-N-bis(2-phenylphenyl)-7-N-(4-phenylphenyl)-17-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753234
N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 174275617

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine?
The IUPAC name of 2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine (CID 166856527) is 2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine.
What is the SMILES notation for 2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine?
The canonical SMILES for 2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine is c1ccc(-c2ccccc2N(c2ccccc2)c2cc3c(cc2N(c2ccccc2)c2ccccc2)oc2cc4ccccc4cc23)cc1.
What is the InChIKey of 2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine?
The InChIKey is UOKKVGRZRYXZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O/c1-5-17-33(18-6-1)39-27-15-16-28-42(39)48(38-25-11-4-12-26-38)43-31-41-40-29-34-19-13-14-20-35(34)30-45(40)49-46(41)32-44(43)47(36-21-7-2-8-22-36)37-23-9-3-10-24-37/h1-32H.
What are the key properties of 2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine?
2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine has a molecular weight of 628.78 g/mol, XLogP of 13.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine is sourced from PubChem (CID 166856527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).