6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole

C34H30N2O2 — CID 20779585

IUPAC6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESc1ccc(COc2ccc3[nH]cc(C4CCCc5c4[nH]c4ccc(OCc6ccccc6)cc54)c3c2)cc1
InChIInChI=1S/C34H30N2O2/c1-3-8-23(9-4-1)21-37-25-14-16-32-30(19-25)31(20-35-32)28-13-7-12-27-29-18-26(15-17-33(29)36-34(27)28)38-22-24-10-5-2-6-11-24/h1-6,8-11,14-20,28,35-36H,7,12-13,21-22H2
InChIKeyCNEHMUBXJBNAJH-UHFFFAOYSA-N
MW498.63 g/mol
LogP8.28
Rot. Bonds7

About 6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole

6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 20779585) has the molecular formula C34H30N2O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID20779585
Molecular FormulaC34H30N2O2
Molecular Weight498.63 g/mol
Exact Mass498.23
IUPAC Name6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESc1ccc(COc2ccc3[nH]cc(C4CCCc5c4[nH]c4ccc(OCc6ccccc6)cc54)c3c2)cc1
InChIInChI=1S/C34H30N2O2/c1-3-8-23(9-4-1)21-37-25-14-16-32-30(19-25)31(20-35-32)28-13-7-12-27-29-18-26(15-17-33(29)36-34(27)28)38-22-24-10-5-2-6-11-24/h1-6,8-11,14-20,28,35-36H,7,12-13,21-22H2
InChIKeyCNEHMUBXJBNAJH-UHFFFAOYSA-N
XLogP8.28
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 58.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylmethoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 40628715
6,16,26-tris(phenylmethoxy)-10,20,30-triazaheptacyclo[21.7.0.03,11.04,9.013,21.014,19.024,29]triaconta-1(23),3(11),4(9),5,7,13(21),14(19),15,17,24(29),25,27-dodecaene
CID 101011137
6-phenylmethoxy-1-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3677572
1-(3,5-dimethylphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3282736
1-(2,6-dichlorophenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 5038370
1-(2,5-dichlorophenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4682798
3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene
CID 165040105
1-(3-methoxy-2-phenylmethoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4559336
1-(4-methoxy-2,3,6-trimethylphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3995725
N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 142505542
6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3880139
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate
CID 66819023

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole (CID 20779585) is 6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole is c1ccc(COc2ccc3[nH]cc(C4CCCc5c4[nH]c4ccc(OCc6ccccc6)cc54)c3c2)cc1.
What is the InChIKey of 6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is CNEHMUBXJBNAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2O2/c1-3-8-23(9-4-1)21-37-25-14-16-32-30(19-25)31(20-35-32)28-13-7-12-27-29-18-26(15-17-33(29)36-34(27)28)38-22-24-10-5-2-6-11-24/h1-6,8-11,14-20,28,35-36H,7,12-13,21-22H2.
What are the key properties of 6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole?
6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 498.63 g/mol, XLogP of 8.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 20779585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).