6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole

C42H28N2O2 — CID 170680369

IUPAC6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole
SMILESC#CCn1c2ccc(OC)cc2c2c(-c3ccc(C#C)cc3)c3c(c(-c4ccc(C#C)cc4)c21)c1cc(OC)ccc1n3CC#C
InChIInChI=1S/C42H28N2O2/c1-7-23-43-35-21-19-31(45-5)25-33(35)39-38(30-17-13-28(10-4)14-18-30)42-40(37(41(39)43)29-15-11-27(9-3)12-16-29)34-26-32(46-6)20-22-36(34)44(42)24-8-2/h1-4,11-22,25-26H,23-24H2,5-6H3
InChIKeyRAXZGGFSQMLWIO-UHFFFAOYSA-N
MW592.70 g/mol
LogP8.48
Rot. Bonds6

About 6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole

6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole (PubChem CID 170680369) has the molecular formula C42H28N2O2 and a molecular weight of 592.70 g/mol. Its IUPAC name is 6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole
PubChem CID170680369
Molecular FormulaC42H28N2O2
Molecular Weight592.70 g/mol
Exact Mass592.22
IUPAC Name6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole
SMILESC#CCn1c2ccc(OC)cc2c2c(-c3ccc(C#C)cc3)c3c(c(-c4ccc(C#C)cc4)c21)c1cc(OC)ccc1n3CC#C
InChIInChI=1S/C42H28N2O2/c1-7-23-43-35-21-19-31(45-5)25-33(35)39-38(30-17-13-28(10-4)14-18-30)42-40(37(41(39)43)29-15-11-27(9-3)12-16-29)34-26-32(46-6)20-22-36(34)44(42)24-8-2/h1-4,11-22,25-26H,23-24H2,5-6H3
InChIKeyRAXZGGFSQMLWIO-UHFFFAOYSA-N
XLogP8.48
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole with MolForge

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Related Compounds

6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole
CID 170680326
5-methoxy-1-prop-2-ynylindole
CID 45091362
3-(4-methoxyphenyl)-4-prop-2-ynyl-1,2,4-oxadiazol-5-one
CID 117060179
4-(5-methoxy-2-methyl-1-prop-2-ynylindol-3-yl)-2-(6-methoxy-1-prop-2-ynylindol-3-yl)-1,3-thiazole
CID 176955721
4-[4-(4-ethynylphenyl)-2,6-dimethylphenyl]-N,N-bis(4-methoxyphenyl)-3,5-dimethylaniline
CID 102101116
2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile
CID 58694355
3-(5-methoxy-1-prop-2-ynylbenzimidazol-2-yl)propan-1-amine
CID 82334293
1-(4-chlorophenyl)-2-[(4-ethynylphenoxy)methyl]-4-methoxybenzene
CID 141026509
3-(5-methoxy-1-prop-2-ynylbenzimidazol-2-yl)propanoic acid
CID 82334272
2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine
CID 144963426
1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile
CID 70859124
2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine
CID 89024435

Frequently Asked Questions

What is the IUPAC name of 6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole?
The IUPAC name of 6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole (CID 170680369) is 6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole.
What is the SMILES notation for 6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole?
The canonical SMILES for 6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole is C#CCn1c2ccc(OC)cc2c2c(-c3ccc(C#C)cc3)c3c(c(-c4ccc(C#C)cc4)c21)c1cc(OC)ccc1n3CC#C.
What is the InChIKey of 6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole?
The InChIKey is RAXZGGFSQMLWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O2/c1-7-23-43-35-21-19-31(45-5)25-33(35)39-38(30-17-13-28(10-4)14-18-30)42-40(37(41(39)43)29-15-11-27(9-3)12-16-29)34-26-32(46-6)20-22-36(34)44(42)24-8-2/h1-4,11-22,25-26H,23-24H2,5-6H3.
What are the key properties of 6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole?
6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole has a molecular weight of 592.70 g/mol, XLogP of 8.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-bis(4-ethynylphenyl)-2,8-dimethoxy-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole is sourced from PubChem (CID 170680369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).