1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine

C39H25N5O — CID 71478917

IUPAC1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
SMILESCn1ccnc1-c1ccc2c3ccccc3n(-c3ccc4c5ccccc5n(-c5nccc6c5oc5ccccc56)c4c3)c2c1
InChIInChI=1S/C39H25N5O/c1-42-21-20-41-38(42)24-14-16-28-26-8-2-5-11-32(26)43(34(28)22-24)25-15-17-29-27-9-3-6-12-33(27)44(35(29)23-25)39-37-31(18-19-40-39)30-10-4-7-13-36(30)45-37/h2-23H,1H3
InChIKeyNZHNUCPVOCKKSZ-UHFFFAOYSA-N
MW579.66 g/mol
LogP9.58
Rot. Bonds3

About 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine

1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 71478917) has the molecular formula C39H25N5O and a molecular weight of 579.66 g/mol. Its IUPAC name is 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
PubChem CID71478917
Molecular FormulaC39H25N5O
Molecular Weight579.66 g/mol
Exact Mass579.21
IUPAC Name1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
SMILESCn1ccnc1-c1ccc2c3ccccc3n(-c3ccc4c5ccccc5n(-c5nccc6c5oc5ccccc56)c4c3)c2c1
InChIInChI=1S/C39H25N5O/c1-42-21-20-41-38(42)24-14-16-28-26-8-2-5-11-32(26)43(34(28)22-24)25-15-17-29-27-9-3-6-12-33(27)44(35(29)23-25)39-37-31(18-19-40-39)30-10-4-7-13-36(30)45-37/h2-23H,1H3
InChIKeyNZHNUCPVOCKKSZ-UHFFFAOYSA-N
XLogP9.58
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.66
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

1-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;6-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 157234623
1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 167193903
2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole
CID 142328497
9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-2-(4-methylphenyl)carbazole
CID 146647660
9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole
CID 170285075
5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142328663
8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163792
3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 59413710
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
1-[3-[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 158552682
15-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-18-phenyl-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(16),2,4,6,9,11,13,17,19-nonaene
CID 176861943
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine (CID 71478917) is 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine is Cn1ccnc1-c1ccc2c3ccccc3n(-c3ccc4c5ccccc5n(-c5nccc6c5oc5ccccc56)c4c3)c2c1.
What is the InChIKey of 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is NZHNUCPVOCKKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N5O/c1-42-21-20-41-38(42)24-14-16-28-26-8-2-5-11-32(26)43(34(28)22-24)25-15-17-29-27-9-3-6-12-33(27)44(35(29)23-25)39-37-31(18-19-40-39)30-10-4-7-13-36(30)45-37/h2-23H,1H3.
What are the key properties of 1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?
1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 579.66 g/mol, XLogP of 9.58, 3 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]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 71478917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).