9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole

C32H32N2 — CID 71578978

IUPAC9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole
SMILESc1ccc2c(c1)c1c(n2Cc2ccc(Cn3c4c(c5ccccc53)CCCC4)cc2)CCCC1
InChIInChI=1S/C32H32N2/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)33(29)21-23-17-19-24(20-18-23)22-34-31-15-7-3-11-27(31)28-12-4-8-16-32(28)34/h1,3,5,7,9,11,13,15,17-20H,2,4,6,8,10,12,14,16,21-22H2
InChIKeyCNHPXUMQURIPRN-UHFFFAOYSA-N
MW444.62 g/mol
LogP7.45
Rot. Bonds4

About 9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole

9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole (PubChem CID 71578978) has the molecular formula C32H32N2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole
PubChem CID71578978
Molecular FormulaC32H32N2
Molecular Weight444.62 g/mol
Exact Mass444.26
IUPAC Name9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole
SMILESc1ccc2c(c1)c1c(n2Cc2ccc(Cn3c4c(c5ccccc53)CCCC4)cc2)CCCC1
InChIInChI=1S/C32H32N2/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)33(29)21-23-17-19-24(20-18-23)22-34-31-15-7-3-11-27(31)28-12-4-8-16-32(28)34/h1,3,5,7,9,11,13,15,17-20H,2,4,6,8,10,12,14,16,21-22H2
InChIKeyCNHPXUMQURIPRN-UHFFFAOYSA-N
XLogP7.45
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole (CID 71578978) is 9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole is c1ccc2c(c1)c1c(n2Cc2ccc(Cn3c4c(c5ccccc53)CCCC4)cc2)CCCC1.
What is the InChIKey of 9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole?
The InChIKey is CNHPXUMQURIPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)33(29)21-23-17-19-24(20-18-23)22-34-31-15-7-3-11-27(31)28-12-4-8-16-32(28)34/h1,3,5,7,9,11,13,15,17-20H,2,4,6,8,10,12,14,16,21-22H2.
What are the key properties of 9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole?
9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole has a molecular weight of 444.62 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 71578978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).