7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole

C44H32N2 — CID 130209425

IUPAC7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccc6)cc5)n4)c3cc21
InChIInChI=1S/C44H32N2/c1-44(2)38-19-11-9-17-34(38)36-27-37-35-18-10-12-20-41(35)46(42(37)28-39(36)44)43-26-33(30-15-7-4-8-16-30)25-40(45-43)32-23-21-31(22-24-32)29-13-5-3-6-14-29/h3-28H,1-2H3
InChIKeyJGWXUPVSBUKXTA-UHFFFAOYSA-N
MW588.75 g/mol
LogP11.49
Rot. Bonds4

About 7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole

7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole (PubChem CID 130209425) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole
PubChem CID130209425
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccc6)cc5)n4)c3cc21
InChIInChI=1S/C44H32N2/c1-44(2)38-19-11-9-17-34(38)36-27-37-35-18-10-12-20-41(35)46(42(37)28-39(36)44)43-26-33(30-15-7-4-8-16-30)25-40(45-43)32-23-21-31(22-24-32)29-13-5-3-6-14-29/h3-28H,1-2H3
InChIKeyJGWXUPVSBUKXTA-UHFFFAOYSA-N
XLogP11.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 130327268
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole;9-(4,6-diphenyl-2-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole
CID 163711135
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole
CID 160723883
11,11-dimethyl-5-[4-(4-phenylphenyl)quinolin-2-yl]indeno[1,2-b]carbazole
CID 90076019
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459494
15-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459489
6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 134252589
5-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)benzonitrile
CID 140922574
5-[4-(3,5-diphenylphenyl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 158211170
12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 121385344

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole (CID 130209425) is 7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccc6)cc5)n4)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole?
The InChIKey is JGWXUPVSBUKXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c1-44(2)38-19-11-9-17-34(38)36-27-37-35-18-10-12-20-41(35)46(42(37)28-39(36)44)43-26-33(30-15-7-4-8-16-30)25-40(45-43)32-23-21-31(22-24-32)29-13-5-3-6-14-29/h3-28H,1-2H3.
What are the key properties of 7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole has a molecular weight of 588.75 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole is sourced from PubChem (CID 130209425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).