5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole

C68H52N4 — CID 163419050

IUPAC5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)C1=CC=CCC1N3c1ccc(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(C)C)nc1-n1c2ccccc2c2cc3c(cc21)-c1ccccc1C3(C)C
InChIInChI=1S/C68H52N4/c1-66(2)51-25-13-7-19-39(51)45-36-61-48(33-54(45)66)42-22-10-16-28-57(42)70(61)60-31-32-64(71-58-29-17-11-23-43(58)49-34-55-46(37-62(49)71)40-20-8-14-26-52(40)67(55,3)4)69-65(60)72-59-30-18-12-24-44(59)50-35-56-47(38-63(50)72)41-21-9-15-27-53(41)68(56,5)6/h7-27,29-38,57H,28H2,1-6H3
InChIKeyAGWNWKXYNMQDGI-UHFFFAOYSA-N
MW925.19 g/mol
LogP17.06
Rot. Bonds3

About 5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole

5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 163419050) has the molecular formula C68H52N4 and a molecular weight of 925.19 g/mol. Its IUPAC name is 5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID163419050
Molecular FormulaC68H52N4
Molecular Weight925.19 g/mol
Exact Mass924.42
IUPAC Name5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)C1=CC=CCC1N3c1ccc(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(C)C)nc1-n1c2ccccc2c2cc3c(cc21)-c1ccccc1C3(C)C
InChIInChI=1S/C68H52N4/c1-66(2)51-25-13-7-19-39(51)45-36-61-48(33-54(45)66)42-22-10-16-28-57(42)70(61)60-31-32-64(71-58-29-17-11-23-43(58)49-34-55-46(37-62(49)71)40-20-8-14-26-52(40)67(55,3)4)69-65(60)72-59-30-18-12-24-44(59)50-35-56-47(38-63(50)72)41-21-9-15-27-53(41)68(56,5)6/h7-27,29-38,57H,28H2,1-6H3
InChIKeyAGWNWKXYNMQDGI-UHFFFAOYSA-N
XLogP17.06
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.19
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole with MolForge

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Related Compounds

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5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole
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CID 118488779
7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146337596
11,11-dimethyl-5-[4-(4-phenylphenyl)quinolin-2-yl]indeno[1,2-b]carbazole
CID 90076019
11,11-dimethyl-5-(1-phenylisoquinolin-3-yl)indeno[1,2-b]carbazole
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11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole
CID 144943011
4-carbazol-9-yl-3-[5-cyano-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 129300013
5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole
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11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496

Frequently Asked Questions

What is the IUPAC name of 5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole (CID 163419050) is 5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)C1=CC=CCC1N3c1ccc(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(C)C)nc1-n1c2ccccc2c2cc3c(cc21)-c1ccccc1C3(C)C.
What is the InChIKey of 5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is AGWNWKXYNMQDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52N4/c1-66(2)51-25-13-7-19-39(51)45-36-61-48(33-54(45)66)42-22-10-16-28-57(42)70(61)60-31-32-64(71-58-29-17-11-23-43(58)49-34-55-46(37-62(49)71)40-20-8-14-26-52(40)67(55,3)4)69-65(60)72-59-30-18-12-24-44(59)50-35-56-47(38-63(50)72)41-21-9-15-27-53(41)68(56,5)6/h7-27,29-38,57H,28H2,1-6H3.
What are the key properties of 5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole?
5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 925.19 g/mol, XLogP of 17.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 163419050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).