1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole

C42H32N6 — CID 71478919

IUPAC1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole
SMILESCCCn1c2ccccc2c2ccnc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccc(-c7nccn7C)cc65)cc43)c21
InChIInChI=1S/C42H32N6/c1-3-23-46-35-13-7-4-12-31(35)34-20-21-43-42(40(34)46)48-37-15-9-6-11-30(37)33-19-17-28(26-39(33)48)47-36-14-8-5-10-29(36)32-18-16-27(25-38(32)47)41-44-22-24-45(41)2/h4-22,24-26H,3,23H2,1-2H3
InChIKeyJULDLXFDZOPWGI-UHFFFAOYSA-N
MW620.76 g/mol
LogP10.19
Rot. Bonds5

About 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole

1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole (PubChem CID 71478919) has the molecular formula C42H32N6 and a molecular weight of 620.76 g/mol. Its IUPAC name is 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole.

Molecular Properties

Compound Name1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole
PubChem CID71478919
Molecular FormulaC42H32N6
Molecular Weight620.76 g/mol
Exact Mass620.27
IUPAC Name1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole
SMILESCCCn1c2ccccc2c2ccnc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccc(-c7nccn7C)cc65)cc43)c21
InChIInChI=1S/C42H32N6/c1-3-23-46-35-13-7-4-12-31(35)34-20-21-43-42(40(34)46)48-37-15-9-6-11-30(37)33-19-17-28(26-39(33)48)47-36-14-8-5-10-29(36)32-18-16-27(25-38(32)47)41-44-22-24-45(41)2/h4-22,24-26H,3,23H2,1-2H3
InChIKeyJULDLXFDZOPWGI-UHFFFAOYSA-N
XLogP10.19
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.76
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 71478917
formonitrile;2-(1-methylimidazol-2-yl)-9-pyridin-2-ylcarbazole;platinum(2+)
CID 71478924
9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+)
CID 71478787
2-[1-methyl-7-(1-methylimidazol-2-yl)benzimidazol-2-yl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328673
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole
CID 140715844
9-[4-(1-phenylimidazol-2-yl)phenyl]carbazole
CID 140800069
2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 153285100
9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140800046
5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142328663
2'-(1-methylimidazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 154940216
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole?
The IUPAC name of 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole (CID 71478919) is 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole.
What is the SMILES notation for 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole?
The canonical SMILES for 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole is CCCn1c2ccccc2c2ccnc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccc(-c7nccn7C)cc65)cc43)c21.
What is the InChIKey of 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole?
The InChIKey is JULDLXFDZOPWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N6/c1-3-23-46-35-13-7-4-12-31(35)34-20-21-43-42(40(34)46)48-37-15-9-6-11-30(37)33-19-17-28(26-39(33)48)47-36-14-8-5-10-29(36)32-18-16-27(25-38(32)47)41-44-22-24-45(41)2/h4-22,24-26H,3,23H2,1-2H3.
What are the key properties of 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole?
1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole has a molecular weight of 620.76 g/mol, XLogP of 10.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-9-propylpyrido[3,4-b]indole is sourced from PubChem (CID 71478919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).