9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole

C35H30N2O — CID 169301818

IUPAC9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole
SMILESCc1cccc2c3cccc(C)c3n(-c3ccc4c(c3)oc3c(-c5cc(C(C)(C)C)ccn5)cccc34)c12
InChIInChI=1S/C35H30N2O/c1-21-9-6-11-26-27-12-7-10-22(2)33(27)37(32(21)26)24-15-16-25-28-13-8-14-29(34(28)38-31(25)20-24)30-19-23(17-18-36-30)35(3,4)5/h6-20H,1-5H3
InChIKeyODKBWOKHRUEULH-UHFFFAOYSA-N
MW494.64 g/mol
LogP9.66
Rot. Bonds2

About 9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole

9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole (PubChem CID 169301818) has the molecular formula C35H30N2O and a molecular weight of 494.64 g/mol. Its IUPAC name is 9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole.

Molecular Properties

Compound Name9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole
PubChem CID169301818
Molecular FormulaC35H30N2O
Molecular Weight494.64 g/mol
Exact Mass494.24
IUPAC Name9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole
SMILESCc1cccc2c3cccc(C)c3n(-c3ccc4c(c3)oc3c(-c5cc(C(C)(C)C)ccn5)cccc34)c12
InChIInChI=1S/C35H30N2O/c1-21-9-6-11-26-27-12-7-10-22(2)33(27)37(32(21)26)24-15-16-25-28-13-8-14-29(34(28)38-31(25)20-24)30-19-23(17-18-36-30)35(3,4)5/h6-20H,1-5H3
InChIKeyODKBWOKHRUEULH-UHFFFAOYSA-N
XLogP9.66
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
CID 155610480
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
CID 166575883
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
CID 165169386
4-(4-tert-butylphenyl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)pyridine
CID 166043906
2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine
CID 162708104
4-tert-butyl-2-[14-(2,4,6-trimethylphenyl)-10,21-dioxa-14-borapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]pyridine
CID 169301862
2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611964
8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine
CID 155611309
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole?
The IUPAC name of 9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole (CID 169301818) is 9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole.
What is the SMILES notation for 9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole?
The canonical SMILES for 9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole is Cc1cccc2c3cccc(C)c3n(-c3ccc4c(c3)oc3c(-c5cc(C(C)(C)C)ccn5)cccc34)c12.
What is the InChIKey of 9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole?
The InChIKey is ODKBWOKHRUEULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2O/c1-21-9-6-11-26-27-12-7-10-22(2)33(27)37(32(21)26)24-15-16-25-28-13-8-14-29(34(28)38-31(25)20-24)30-19-23(17-18-36-30)35(3,4)5/h6-20H,1-5H3.
What are the key properties of 9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole?
9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole has a molecular weight of 494.64 g/mol, XLogP of 9.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole is sourced from PubChem (CID 169301818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).