N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine — IUPAC name, SMILES, InChIKey & properties

Name: N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine

N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine (PubChem CID 157492316) has the molecular formula C102H64Au3N9O4 and a molecular weight of 2070.59 g/mol. Its IUPAC name is N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine.

Molecular Properties

Compound Name	N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine
PubChem CID	157492316
Molecular Formula	C102H64Au3N9O4
Molecular Weight	2070.59 g/mol
Exact Mass	2069.41
IUPAC Name	N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine
SMILES	[Au+3].[Au+3].[Au+3].[c-]1c(-c2cccc3ccc[c-]c23)cccc1N1c2ccccc2Oc2ccc(-n3c4[c-]cccc4c4ccccc43)nc21.[c-]1c(-c2cccc3oc[c-]c23)cccc1N(c1ccccc1)c1cccc(-n2ccc3ccc[c-]c32)n1.[c-]1ccccc1C[C-](CN(c1ccccc1)c1nc2c(-n3[c-]ccc3)coc2o1)c1ccccc1
InChI	InChI=1S/C39H22N3O.C33H20N3O.C30H22N3O2.3Au/c1-2-15-29-26(11-1)12-10-18-30(29)27-13-9-14-28(25-27)41-35-21-7-8-22-36(35)43-37-23-24-38(40-39(37)41)42-33-19-5-3-16-31(33)32-17-4-6-20-34(32)42;1-2-11-26(12-3-1)36(27-13-6-10-25(23-27)28-14-7-16-31-29(28)20-22-37-31)33-18-8-17-32(34-33)35-21-19-24-9-4-5-15-30(24)35;1-4-12-23(13-5-1)20-25(24-14-6-2-7-15-24)21-33(26-16-8-3-9-17-26)30-31-28-27(22-34-29(28)35-30)32-18-10-11-19-32;;;/h1-14,16-19,21-24H;1-14,16-19,21-22H;1-12,14-18,22H,20-21H2;;;/q3-3;3+3
InChIKey	SPGOHENKRXLEPB-UHFFFAOYSA-N
XLogP	25.09
TPSA	111.83 Å²
H-Bond Donors
H-Bond Acceptors	13
Rotatable Bonds	16
Heavy Atoms	118
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.59
LogP ≤ 5	25.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine?

The IUPAC name of N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine (CID 157492316) is N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine.

What is the SMILES notation for N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine?

The canonical SMILES for N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine is [Au+3].[Au+3].[Au+3].[c-]1c(-c2cccc3ccc[c-]c23)cccc1N1c2ccccc2Oc2ccc(-n3c4[c-]cccc4c4ccccc43)nc21.[c-]1c(-c2cccc3oc[c-]c23)cccc1N(c1ccccc1)c1cccc(-n2ccc3ccc[c-]c32)n1.[c-]1ccccc1C[C-](CN(c1ccccc1)c1nc2c(-n3[c-]ccc3)coc2o1)c1ccccc1.

What is the InChIKey of N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine?

The InChIKey is SPGOHENKRXLEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N3O.C33H20N3O.C30H22N3O2.3Au/c1-2-15-29-26(11-1)12-10-18-30(29)27-13-9-14-28(25-27)41-35-21-7-8-22-36(35)43-37-23-24-38(40-39(37)41)42-33-19-5-3-16-31(33)32-17-4-6-20-34(32)42;1-2-11-26(12-3-1)36(27-13-6-10-25(23-27)28-14-7-16-31-29(28)20-22-37-31)33-18-8-17-32(34-33)35-21-19-24-9-4-5-15-30(24)35;1-4-12-23(13-5-1)20-25(24-14-6-2-7-15-24)21-33(26-16-8-3-9-17-26)30-31-28-27(22-34-29(28)35-30)32-18-10-11-19-32;;;/h1-14,16-19,21-24H;1-14,16-19,21-22H;1-12,14-18,22H,20-21H2;;;/q3*-3;3*+3.

What are the key properties of N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine?

Where does this data come from?

All data for N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine is sourced from PubChem (CID 157492316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).