2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline

C80H55Cl3N4O2 — CID 165032581

IUPAC2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline
SMILESClc1c(N(c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1cc2ccccc2c2oc3ccccc3c12.Clc1cccc(N(c2ccccc2)c2cc3ccccc3c3oc4ccccc4c23)c1Cl.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C40H27ClN2O.C28H17Cl2NO.C12H11N/c41-39-34(42(29-16-4-1-5-17-29)30-18-6-2-7-19-30)24-14-25-35(39)43(31-20-8-3-9-21-31)36-27-28-15-10-11-22-32(28)40-38(36)33-23-12-13-26-37(33)44-40;29-22-14-8-15-23(27(22)30)31(19-10-2-1-3-11-19)24-17-18-9-4-5-12-20(18)28-26(24)21-13-6-7-16-25(21)32-28;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-27H;1-17H;1-10,13H
InChIKeyMWTLBCXIDHNYGI-UHFFFAOYSA-N
MW1210.71 g/mol
LogP25.28
Rot. Bonds11

About 2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline

2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline (PubChem CID 165032581) has the molecular formula C80H55Cl3N4O2 and a molecular weight of 1210.71 g/mol. Its IUPAC name is 2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline.

Molecular Properties

Compound Name2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline
PubChem CID165032581
Molecular FormulaC80H55Cl3N4O2
Molecular Weight1210.71 g/mol
Exact Mass1208.34
IUPAC Name2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline
SMILESClc1c(N(c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1cc2ccccc2c2oc3ccccc3c12.Clc1cccc(N(c2ccccc2)c2cc3ccccc3c3oc4ccccc4c23)c1Cl.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C40H27ClN2O.C28H17Cl2NO.C12H11N/c41-39-34(42(29-16-4-1-5-17-29)30-18-6-2-7-19-30)24-14-25-35(39)43(31-20-8-3-9-21-31)36-27-28-15-10-11-22-32(28)40-38(36)33-23-12-13-26-37(33)44-40;29-22-14-8-15-23(27(22)30)31(19-10-2-1-3-11-19)24-17-18-9-4-5-12-20(18)28-26(24)21-13-6-7-16-25(21)32-28;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-27H;1-17H;1-10,13H
InChIKeyMWTLBCXIDHNYGI-UHFFFAOYSA-N
XLogP25.28
TPSA48.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001210.71
LogP ≤ 525.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline with MolForge

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Related Compounds

11-N,11-N,23-N,23-N-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(24),2(10),4,6,8,11,13,16,18,20,22-undecaene-11,23-diamine
CID 70938435
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 167276945
2-chloro-1-N,3-N-diphenyl-1-N,3-N-bis[8-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-11-yl]benzene-1,3-diamine;N-phenyl-8-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-11-amine;1,2,3-trichlorobenzene
CID 165107090
2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline
CID 165105725
2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline
CID 163574767
N-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine
CID 165013737
6-N,11-N-di(phenanthren-9-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine
CID 90262487
N-dibenzofuran-1-yl-N,6-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 176844569
3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 118220081
N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine
CID 167184155
9-(4-chlorophenyl)phenanthrene;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163531648
4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069305

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline?
The IUPAC name of 2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline (CID 165032581) is 2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline.
What is the SMILES notation for 2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline?
The canonical SMILES for 2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline is Clc1c(N(c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1cc2ccccc2c2oc3ccccc3c12.Clc1cccc(N(c2ccccc2)c2cc3ccccc3c3oc4ccccc4c23)c1Cl.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline?
The InChIKey is MWTLBCXIDHNYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27ClN2O.C28H17Cl2NO.C12H11N/c41-39-34(42(29-16-4-1-5-17-29)30-18-6-2-7-19-30)24-14-25-35(39)43(31-20-8-3-9-21-31)36-27-28-15-10-11-22-32(28)40-38(36)33-23-12-13-26-37(33)44-40;29-22-14-8-15-23(27(22)30)31(19-10-2-1-3-11-19)24-17-18-9-4-5-12-20(18)28-26(24)21-13-6-7-16-25(21)32-28;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-27H;1-17H;1-10,13H.
What are the key properties of 2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline?
2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline has a molecular weight of 1210.71 g/mol, XLogP of 25.28, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline is sourced from PubChem (CID 165032581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).