2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole

C51H35N3 — CID 59147145

IUPAC2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc3c(c21)c1cc(-n2c4ccccc4c4ccccc42)ccc1n3-c1ccccc1
InChIInChI=1S/C51H35N3/c1-51(2)42-31-34(54-45-22-12-8-18-38(45)39-19-9-13-23-46(39)54)24-26-35(42)40-27-29-48-49(50(40)51)41-30-33(25-28-47(41)52(48)32-14-4-3-5-15-32)53-43-20-10-6-16-36(43)37-17-7-11-21-44(37)53/h3-31H,1-2H3
InChIKeyIYSDXMMICFHVTJ-UHFFFAOYSA-N
MW689.86 g/mol
LogP13.28
Rot. Bonds3

About 2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole

2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole (PubChem CID 59147145) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole.

Molecular Properties

Compound Name2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole
PubChem CID59147145
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc3c(c21)c1cc(-n2c4ccccc4c4ccccc42)ccc1n3-c1ccccc1
InChIInChI=1S/C51H35N3/c1-51(2)42-31-34(54-45-22-12-8-18-38(45)39-19-9-13-23-46(39)54)24-26-35(42)40-27-29-48-49(50(40)51)41-30-33(25-28-47(41)52(48)32-14-4-3-5-15-32)53-43-20-10-6-16-36(43)37-17-7-11-21-44(37)53/h3-31H,1-2H3
InChIKeyIYSDXMMICFHVTJ-UHFFFAOYSA-N
XLogP13.28
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118502372
15,15-dimethyl-24-phenyl-11-(4-phenylphenyl)-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 166002311
5-[6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)naphthalen-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 122548689
3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118099001
15,15-dimethyl-6-phenyl-24-(4-phenylphenyl)-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 134313392
9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595599
15,15-dimethyl-11-phenyl-7-(9-phenylcarbazol-3-yl)-19-(3-phenylphenyl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;15,15-dimethyl-6-(3-phenylphenyl)-24-(4-phenylphenyl)-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 158967628
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158543724
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162005580
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 59147207
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158410726

Frequently Asked Questions

What is the IUPAC name of 2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole?
The IUPAC name of 2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole (CID 59147145) is 2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole.
What is the SMILES notation for 2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole?
The canonical SMILES for 2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole is CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc3c(c21)c1cc(-n2c4ccccc4c4ccccc42)ccc1n3-c1ccccc1.
What is the InChIKey of 2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole?
The InChIKey is IYSDXMMICFHVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-51(2)42-31-34(54-45-22-12-8-18-38(45)39-19-9-13-23-46(39)54)24-26-35(42)40-27-29-48-49(50(40)51)41-30-33(25-28-47(41)52(48)32-14-4-3-5-15-32)53-43-20-10-6-16-36(43)37-17-7-11-21-44(37)53/h3-31H,1-2H3.
What are the key properties of 2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole?
2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole has a molecular weight of 689.86 g/mol, XLogP of 13.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole is sourced from PubChem (CID 59147145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).