1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole

C40H36N4 — CID 90781595

IUPAC1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESc1ccc2c(C3CCCc4[nH]c5ccccc5c43)c[nH]c2c1.c1ccc2c(C3CCCc4c3[nH]c3ccccc43)c[nH]c2c1
InChIInChI=1S/2C20H18N2/c1-3-10-18-14(7-1)17(12-21-18)16-9-5-8-15-13-6-2-4-11-19(13)22-20(15)16;1-3-9-17-13(6-1)16(12-21-17)14-8-5-11-19-20(14)15-7-2-4-10-18(15)22-19/h1-4,6-7,10-12,16,21-22H,5,8-9H2;1-4,6-7,9-10,12,14,21-22H,5,8,11H2
InChIKeyCWCKYOKAGGTTLR-UHFFFAOYSA-N
MW572.76 g/mol
LogP10.23
Rot. Bonds2

About 1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole

1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 90781595) has the molecular formula C40H36N4 and a molecular weight of 572.76 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID90781595
Molecular FormulaC40H36N4
Molecular Weight572.76 g/mol
Exact Mass572.29
IUPAC Name1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESc1ccc2c(C3CCCc4[nH]c5ccccc5c43)c[nH]c2c1.c1ccc2c(C3CCCc4c3[nH]c3ccccc43)c[nH]c2c1
InChIInChI=1S/2C20H18N2/c1-3-10-18-14(7-1)17(12-21-18)16-9-5-8-15-13-6-2-4-11-19(13)22-20(15)16;1-3-9-17-13(6-1)16(12-21-17)14-8-5-11-19-20(14)15-7-2-4-10-18(15)22-19/h1-4,6-7,10-12,16,21-22H,5,8-9H2;1-4,6-7,9-10,12,14,21-22H,5,8,11H2
InChIKeyCWCKYOKAGGTTLR-UHFFFAOYSA-N
XLogP10.23
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.76
LogP ≤ 510.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3,3'-Diindolylmethane
CID 3071
2-(1H-indol-3-yl)-2-phenylethan-1-amine
CID 609935
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix)
CID 44230732
3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 6618861
3-Indolecarboxylaldehyde, azine
CID 135400613
4'-(1H-indol-3-yl)-1'-methyl-1',4'-dihydro-2,3'-biquinoline
CID 3392688
3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 44589528
6-(3-benzylpyrrolidin-3-yl)-1H-indole
CID 44231009
1H-Indole-3-ethanamine, N,N-bis(phenylmethyl)-
CID 45584
3-(2,3-dihydro-1H-indol-2-yl)-1H-indole
CID 243118
3,3'-(2-pyridinylmethylene)bis-1H-indole
CID 2907031

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole (CID 90781595) is 1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole is c1ccc2c(C3CCCc4[nH]c5ccccc5c43)c[nH]c2c1.c1ccc2c(C3CCCc4c3[nH]c3ccccc43)c[nH]c2c1.
What is the InChIKey of 1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is CWCKYOKAGGTTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18N2/c1-3-10-18-14(7-1)17(12-21-18)16-9-5-8-15-13-6-2-4-11-19(13)22-20(15)16;1-3-9-17-13(6-1)16(12-21-17)14-8-5-11-19-20(14)15-7-2-4-10-18(15)22-19/h1-4,6-7,10-12,16,21-22H,5,8-9H2;1-4,6-7,9-10,12,14,21-22H,5,8,11H2.
What are the key properties of 1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole?
1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 572.76 g/mol, XLogP of 10.23, 2 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 90781595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).