9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole

C38H28N2O2 — CID 143096537

IUPAC9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole
SMILESC=Cc1c(C)c2ccccc2n1-c1ccc2c(c1)OC1(C2)Cc2ccc(-n3c4ccccc4c4ccccc43)cc2O1
InChIInChI=1S/C38H28N2O2/c1-3-32-24(2)29-10-4-7-13-33(29)39(32)27-18-16-25-22-38(41-36(25)20-27)23-26-17-19-28(21-37(26)42-38)40-34-14-8-5-11-30(34)31-12-6-9-15-35(31)40/h3-21H,1,22-23H2,2H3
InChIKeySKUOZDAVFOCLJF-UHFFFAOYSA-N
MW544.65 g/mol
LogP8.95
Rot. Bonds3

About 9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole

9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole (PubChem CID 143096537) has the molecular formula C38H28N2O2 and a molecular weight of 544.65 g/mol. Its IUPAC name is 9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole.

Molecular Properties

Compound Name9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole
PubChem CID143096537
Molecular FormulaC38H28N2O2
Molecular Weight544.65 g/mol
Exact Mass544.22
IUPAC Name9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole
SMILESC=Cc1c(C)c2ccccc2n1-c1ccc2c(c1)OC1(C2)Cc2ccc(-n3c4ccccc4c4ccccc43)cc2O1
InChIInChI=1S/C38H28N2O2/c1-3-32-24(2)29-10-4-7-13-33(29)39(32)27-18-16-25-22-38(41-36(25)20-27)23-26-17-19-28(21-37(26)42-38)40-34-14-8-5-11-30(34)31-12-6-9-15-35(31)40/h3-21H,1,22-23H2,2H3
InChIKeySKUOZDAVFOCLJF-UHFFFAOYSA-N
XLogP8.95
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole
CID 174253158
1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole
CID 154935473
2-ethenyl-3-methyl-1-pyrimidin-2-ylindole
CID 134960562
3-[9-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]carbazol-3-yl]-9-phenylcarbazole
CID 139481669
2,3-bis(ethenyl)-1-(4-methylphenyl)indole
CID 91187792
9-[4-[3-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]-1,4-bis(4-carbazol-9-ylphenyl)naphthalen-2-yl]phenyl]carbazole
CID 89334592
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
3,9-bis(4-ethenylphenyl)carbazole
CID 154999846
9-[3-[5-[3-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]-3-pyridinyl]phenyl]carbazole
CID 167161151
9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole
CID 146280194
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)
CID 144541446

Frequently Asked Questions

What is the IUPAC name of 9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole?
The IUPAC name of 9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole (CID 143096537) is 9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole.
What is the SMILES notation for 9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole?
The canonical SMILES for 9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole is C=Cc1c(C)c2ccccc2n1-c1ccc2c(c1)OC1(C2)Cc2ccc(-n3c4ccccc4c4ccccc43)cc2O1.
What is the InChIKey of 9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole?
The InChIKey is SKUOZDAVFOCLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2O2/c1-3-32-24(2)29-10-4-7-13-33(29)39(32)27-18-16-25-22-38(41-36(25)20-27)23-26-17-19-28(21-37(26)42-38)40-34-14-8-5-11-30(34)31-12-6-9-15-35(31)40/h3-21H,1,22-23H2,2H3.
What are the key properties of 9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole?
9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole has a molecular weight of 544.65 g/mol, XLogP of 8.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole is sourced from PubChem (CID 143096537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).