9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole

C36H26N4 — CID 118352521

IUPAC9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2Cc1ccc(-c2ccc(Cn3c4ccccc4c4ccccc43)cn2)nc1
InChIInChI=1S/C36H26N4/c1-5-13-33-27(9-1)28-10-2-6-14-34(28)39(33)23-25-17-19-31(37-21-25)32-20-18-26(22-38-32)24-40-35-15-7-3-11-29(35)30-12-4-8-16-36(30)40/h1-22H,23-24H2
InChIKeyMXELMWJPVQHQII-UHFFFAOYSA-N
MW514.63 g/mol
LogP8.46
Rot. Bonds5

About 9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole

9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole (PubChem CID 118352521) has the molecular formula C36H26N4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole.

Molecular Properties

Compound Name9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole
PubChem CID118352521
Molecular FormulaC36H26N4
Molecular Weight514.63 g/mol
Exact Mass514.22
IUPAC Name9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2Cc1ccc(-c2ccc(Cn3c4ccccc4c4ccccc43)cn2)nc1
InChIInChI=1S/C36H26N4/c1-5-13-33-27(9-1)28-10-2-6-14-34(28)39(33)23-25-17-19-31(37-21-25)32-20-18-26(22-38-32)24-40-35-15-7-3-11-29(35)30-12-4-8-16-36(30)40/h1-22H,23-24H2
InChIKeyMXELMWJPVQHQII-UHFFFAOYSA-N
XLogP8.46
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole?
The IUPAC name of 9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole (CID 118352521) is 9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole.
What is the SMILES notation for 9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole?
The canonical SMILES for 9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole is c1ccc2c(c1)c1ccccc1n2Cc1ccc(-c2ccc(Cn3c4ccccc4c4ccccc43)cn2)nc1.
What is the InChIKey of 9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole?
The InChIKey is MXELMWJPVQHQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4/c1-5-13-33-27(9-1)28-10-2-6-14-34(28)39(33)23-25-17-19-31(37-21-25)32-20-18-26(22-38-32)24-40-35-15-7-3-11-29(35)30-12-4-8-16-36(30)40/h1-22H,23-24H2.
What are the key properties of 9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole?
9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole has a molecular weight of 514.63 g/mol, XLogP of 8.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole is sourced from PubChem (CID 118352521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).