5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole

C44H35N3 — CID 166957464

IUPAC5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole
SMILESCC1C=CC2=C(C1)c1cc3c(cc1C2(C)C)c1ccccc1n3-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H35N3/c1-28-18-23-37-34(24-28)35-26-42-36(25-38(35)44(37,2)3)33-16-10-11-17-41(33)47(42)32-21-19-30(20-22-32)40-27-39(29-12-6-4-7-13-29)45-43(46-40)31-14-8-5-9-15-31/h4-23,25-28H,24H2,1-3H3
InChIKeyBNFTXSPMWBDOHH-UHFFFAOYSA-N
MW605.79 g/mol
LogP11.22
Rot. Bonds4

About 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole

5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole (PubChem CID 166957464) has the molecular formula C44H35N3 and a molecular weight of 605.79 g/mol. Its IUPAC name is 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole
PubChem CID166957464
Molecular FormulaC44H35N3
Molecular Weight605.79 g/mol
Exact Mass605.28
IUPAC Name5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole
SMILESCC1C=CC2=C(C1)c1cc3c(cc1C2(C)C)c1ccccc1n3-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H35N3/c1-28-18-23-37-34(24-28)35-26-42-36(25-38(35)44(37,2)3)33-16-10-11-17-41(33)47(42)32-21-19-30(20-22-32)40-27-39(29-12-6-4-7-13-29)45-43(46-40)31-14-8-5-9-15-31/h4-23,25-28H,24H2,1-3H3
InChIKeyBNFTXSPMWBDOHH-UHFFFAOYSA-N
XLogP11.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.79
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
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-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134598259
6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine
CID 138737474
3-(4,6-diphenylpyrimidin-2-yl)-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90348761
5-(2,6-diphenylpyrimidin-4-yl)-15,15-dimethyl-25-phenyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 118242820
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
9-[4-[4-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]phenyl]carbazole;9-[4-[4-[4-[4-[3-[4-[4-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 159401121

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole?
The IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole (CID 166957464) is 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole.
What is the SMILES notation for 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole?
The canonical SMILES for 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole is CC1C=CC2=C(C1)c1cc3c(cc1C2(C)C)c1ccccc1n3-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole?
The InChIKey is BNFTXSPMWBDOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N3/c1-28-18-23-37-34(24-28)35-26-42-36(25-38(35)44(37,2)3)33-16-10-11-17-41(33)47(42)32-21-19-30(20-22-32)40-27-39(29-12-6-4-7-13-29)45-43(46-40)31-14-8-5-9-15-31/h4-23,25-28H,24H2,1-3H3.
What are the key properties of 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole?
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole has a molecular weight of 605.79 g/mol, XLogP of 11.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole is sourced from PubChem (CID 166957464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).