7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole

C44H33N3 — CID 163991530

IUPAC7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole
SMILESCc1c(-c2ccccc2)nc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)c2)nc1-c1ccccc1
InChIInChI=1S/C44H33N3/c1-28-41(29-15-6-4-7-16-29)45-43(46-42(28)30-17-8-5-9-18-30)31-19-14-20-32(25-31)47-39-24-13-11-22-34(39)36-26-35-33-21-10-12-23-37(33)44(2,3)38(35)27-40(36)47/h4-27H,1-3H3
InChIKeyUBASFANKMDBPCP-UHFFFAOYSA-N
MW603.77 g/mol
LogP11.19
Rot. Bonds4

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

7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole (PubChem CID 163991530) has the molecular formula C44H33N3 and a molecular weight of 603.77 g/mol. Its IUPAC name is 7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole
PubChem CID163991530
Molecular FormulaC44H33N3
Molecular Weight603.77 g/mol
Exact Mass603.27
IUPAC Name7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole
SMILESCc1c(-c2ccccc2)nc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)c2)nc1-c1ccccc1
InChIInChI=1S/C44H33N3/c1-28-41(29-15-6-4-7-16-29)45-43(46-42(28)30-17-8-5-9-18-30)31-19-14-20-32(25-31)47-39-24-13-11-22-34(39)36-26-35-33-21-10-12-23-37(33)44(2,3)38(35)27-40(36)47/h4-27H,1-3H3
InChIKeyUBASFANKMDBPCP-UHFFFAOYSA-N
XLogP11.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.77
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
5-[3-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130334469
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
7,7-dimethyl-5-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 139567879
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine;4,5,5-triphenyl-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 158437354
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4-[2,6-bis[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159514496
5-[3-(9,9-dimethyl-5-phenylfluoren-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 138714663
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine
CID 140805545
5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592234

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole (CID 163991530) is 7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole is Cc1c(-c2ccccc2)nc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)c2)nc1-c1ccccc1.
What is the InChIKey of 7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole?
The InChIKey is UBASFANKMDBPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N3/c1-28-41(29-15-6-4-7-16-29)45-43(46-42(28)30-17-8-5-9-18-30)31-19-14-20-32(25-31)47-39-24-13-11-22-34(39)36-26-35-33-21-10-12-23-37(33)44(2,3)38(35)27-40(36)47/h4-27H,1-3H3.
What are the key properties of 7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole has a molecular weight of 603.77 g/mol, XLogP of 11.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole is sourced from PubChem (CID 163991530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).