2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole

C64H48N4 — CID 70819630

IUPAC2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4c(n(-c5ccccc5)c3cc21)=CCC(c1ccc2c(c1)c1cc3c(cc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1)C(C)(C)c1ccccc1-3)C=4
InChIInChI=1S/C64H48N4/c1-63(2)52-26-16-14-24-44(52)46-34-50-48-32-41(28-30-58(48)67(60(50)36-54(46)63)43-22-12-7-13-23-43)42-29-31-59-49(33-42)51-35-47-45-25-15-17-27-53(45)64(3,4)55(47)37-61(51)68(59)62-65-56(39-18-8-5-9-19-39)38-57(66-62)40-20-10-6-11-21-40/h5-27,29-38,41H,28H2,1-4H3
InChIKeyVLKIPUZKCANVSD-UHFFFAOYSA-N
MW873.12 g/mol
LogP14.21
Rot. Bonds5

About 2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole

2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 70819630) has the molecular formula C64H48N4 and a molecular weight of 873.12 g/mol. Its IUPAC name is 2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID70819630
Molecular FormulaC64H48N4
Molecular Weight873.12 g/mol
Exact Mass872.39
IUPAC Name2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4c(n(-c5ccccc5)c3cc21)=CCC(c1ccc2c(c1)c1cc3c(cc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1)C(C)(C)c1ccccc1-3)C=4
InChIInChI=1S/C64H48N4/c1-63(2)52-26-16-14-24-44(52)46-34-50-48-32-41(28-30-58(48)67(60(50)36-54(46)63)43-22-12-7-13-23-43)42-29-31-59-49(33-42)51-35-47-45-25-15-17-27-53(45)64(3,4)55(47)37-61(51)68(59)62-65-56(39-18-8-5-9-19-39)38-57(66-62)40-20-10-6-11-21-40/h5-27,29-38,41H,28H2,1-4H3
InChIKeyVLKIPUZKCANVSD-UHFFFAOYSA-N
XLogP14.21
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.12
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole with MolForge

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Related Compounds

5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 90226957
5-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 121465317
5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 134237084
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 87159836
2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 157062931
5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 162483651
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole
CID 71235175
2-cyclohexa-2,4-dien-1-yl-5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123766277
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
2-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 159355535

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole (CID 70819630) is 2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4c(n(-c5ccccc5)c3cc21)=CCC(c1ccc2c(c1)c1cc3c(cc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1)C(C)(C)c1ccccc1-3)C=4.
What is the InChIKey of 2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is VLKIPUZKCANVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N4/c1-63(2)52-26-16-14-24-44(52)46-34-50-48-32-41(28-30-58(48)67(60(50)36-54(46)63)43-22-12-7-13-23-43)42-29-31-59-49(33-42)51-35-47-45-25-15-17-27-53(45)64(3,4)55(47)37-61(51)68(59)62-65-56(39-18-8-5-9-19-39)38-57(66-62)40-20-10-6-11-21-40/h5-27,29-38,41H,28H2,1-4H3.
What are the key properties of 2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 873.12 g/mol, XLogP of 14.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 70819630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).