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

C60H56N6O — CID 91375830

IUPAC4,4-bis(1H-indol-3-yl)butan-1-ol;1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESOCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.c1ccc2c(C3CCCc4[nH]c5ccccc5c43)c[nH]c2c1.c1ccc2c(C3CCCc4c3[nH]c3ccccc43)c[nH]c2c1
InChIInChI=1S/C20H20N2O.2C20H18N2/c23-11-5-8-14(17-12-21-19-9-3-1-6-15(17)19)18-13-22-20-10-4-2-7-16(18)20;1-3-10-18-14(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/h1-4,6-7,9-10,12-14,21-23H,5,8,11H2;1-4,6-7,10-12,16,21-22H,5,8-9H2;1-4,6-7,9-10,12,14,21-22H,5,8,11H2
InChIKeyBWIKNOGYZIEDEA-UHFFFAOYSA-N
MW877.15 g/mol
LogP14.79
Rot. Bonds7

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

4,4-bis(1H-indol-3-yl)butan-1-ol;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 91375830) has the molecular formula C60H56N6O and a molecular weight of 877.15 g/mol. Its IUPAC name is 4,4-bis(1H-indol-3-yl)butan-1-ol;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 Name4,4-bis(1H-indol-3-yl)butan-1-ol;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 CID91375830
Molecular FormulaC60H56N6O
Molecular Weight877.15 g/mol
Exact Mass876.45
IUPAC Name4,4-bis(1H-indol-3-yl)butan-1-ol;1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESOCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.c1ccc2c(C3CCCc4[nH]c5ccccc5c43)c[nH]c2c1.c1ccc2c(C3CCCc4c3[nH]c3ccccc43)c[nH]c2c1
InChIInChI=1S/C20H20N2O.2C20H18N2/c23-11-5-8-14(17-12-21-19-9-3-1-6-15(17)19)18-13-22-20-10-4-2-7-16(18)20;1-3-10-18-14(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/h1-4,6-7,9-10,12-14,21-23H,5,8,11H2;1-4,6-7,10-12,16,21-22H,5,8-9H2;1-4,6-7,9-10,12,14,21-22H,5,8,11H2
InChIKeyBWIKNOGYZIEDEA-UHFFFAOYSA-N
XLogP14.79
TPSA114.97 Ų
H-Bond Donors7
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.15
LogP ≤ 514.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4-bis(1H-indol-3-yl)butan-1-ol;1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole with MolForge

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Related Compounds

1,4-Bis(di(1h-indol-3-yl)methyl)benzene
CID 15637613
1H-Indole-3-heptanol, eta-1H-indol-3-yl-alpha,alpha,epsilon-trimethyl-
CID 106919
2,4-Di(1H-indol-3-yl)butan-1-ol
CID 340898
3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 127035572
3-[[3-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 57326685
(2R)-2,4-bis(1H-indol-3-yl)butan-1-ol
CID 3246676
3-[(5-amino-1H-indol-3-yl)-[4-[bis(5-amino-1H-indol-3-yl)methyl]phenyl]methyl]-1H-indol-5-amine
CID 57326885
3-[[6-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 127035737
trans-1,4-Di(1h-indol-3-yl)-2,3,4,9-tetrahydro-1h-carbazole
CID 127039181
(2S,3R,4R,5S)-2,5-bis(benzylamino)-1,6-bis(1H-indol-3-yl)hexane-3,4-diol
CID 171354419
6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole
CID 139229709
3-[1,4,4-tris(1H-indol-3-yl)cyclohexyl]-1H-indole
CID 139229715

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(1H-indol-3-yl)butan-1-ol;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 4,4-bis(1H-indol-3-yl)butan-1-ol;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 91375830) is 4,4-bis(1H-indol-3-yl)butan-1-ol;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 4,4-bis(1H-indol-3-yl)butan-1-ol;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 4,4-bis(1H-indol-3-yl)butan-1-ol;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 OCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.c1ccc2c(C3CCCc4[nH]c5ccccc5c43)c[nH]c2c1.c1ccc2c(C3CCCc4c3[nH]c3ccccc43)c[nH]c2c1.
What is the InChIKey of 4,4-bis(1H-indol-3-yl)butan-1-ol;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 BWIKNOGYZIEDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O.2C20H18N2/c23-11-5-8-14(17-12-21-19-9-3-1-6-15(17)19)18-13-22-20-10-4-2-7-16(18)20;1-3-10-18-14(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/h1-4,6-7,9-10,12-14,21-23H,5,8,11H2;1-4,6-7,10-12,16,21-22H,5,8-9H2;1-4,6-7,9-10,12,14,21-22H,5,8,11H2.
What are the key properties of 4,4-bis(1H-indol-3-yl)butan-1-ol;1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole?
4,4-bis(1H-indol-3-yl)butan-1-ol;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 877.15 g/mol, XLogP of 14.79, 7 rotatable bonds, 7 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(1H-indol-3-yl)butan-1-ol;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 91375830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).