7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine

C46H30N2O2 — CID 177116861

IUPAC7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5ccc6ccc7c8ccccc8oc7c6c5)ccc4c3c2)cc1
InChIInChI=1S/C46H30N2O2/c1-4-12-32(13-5-1)47(33-14-6-2-7-15-33)36-24-27-44-42(29-36)39-26-23-37(30-45(39)49-44)48(34-16-8-3-9-17-34)35-22-20-31-21-25-40-38-18-10-11-19-43(38)50-46(40)41(31)28-35/h1-30H
InChIKeyDBAGTSUYVNLATL-UHFFFAOYSA-N
MW642.76 g/mol
LogP13.58
Rot. Bonds6

About 7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine

7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine (PubChem CID 177116861) has the molecular formula C46H30N2O2 and a molecular weight of 642.76 g/mol. Its IUPAC name is 7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine.

Molecular Properties

Compound Name7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
PubChem CID177116861
Molecular FormulaC46H30N2O2
Molecular Weight642.76 g/mol
Exact Mass642.23
IUPAC Name7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5ccc6ccc7c8ccccc8oc7c6c5)ccc4c3c2)cc1
InChIInChI=1S/C46H30N2O2/c1-4-12-32(13-5-1)47(33-14-6-2-7-15-33)36-24-27-44-42(29-36)39-26-23-37(30-45(39)49-44)48(34-16-8-3-9-17-34)35-22-20-31-21-25-40-38-18-10-11-19-43(38)50-46(40)41(31)28-35/h1-30H
InChIKeyDBAGTSUYVNLATL-UHFFFAOYSA-N
XLogP13.58
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 176616609
N,N-diphenyldibenzofuran-2-amine
CID 58038469
N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 176616726
3-N-dibenzofuran-2-yl-1-N-dibenzofuran-3-yl-3-N-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-6-yl)-1-N-phenylbenzene-1,3-diamine
CID 170410406
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N-dibenzofuran-3-yl-N-naphthalen-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine
CID 146647960
N-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 167087562
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632

Frequently Asked Questions

What is the IUPAC name of 7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
The IUPAC name of 7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine (CID 177116861) is 7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine.
What is the SMILES notation for 7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
The canonical SMILES for 7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine is c1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5ccc6ccc7c8ccccc8oc7c6c5)ccc4c3c2)cc1.
What is the InChIKey of 7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
The InChIKey is DBAGTSUYVNLATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O2/c1-4-12-32(13-5-1)47(33-14-6-2-7-15-33)36-24-27-44-42(29-36)39-26-23-37(30-45(39)49-44)48(34-16-8-3-9-17-34)35-22-20-31-21-25-40-38-18-10-11-19-43(38)50-46(40)41(31)28-35/h1-30H.
What are the key properties of 7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine has a molecular weight of 642.76 g/mol, XLogP of 13.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine is sourced from PubChem (CID 177116861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).