4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine

C43H31N3 — CID 118476770

IUPAC4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c21
InChIInChI=1S/C43H31N3/c1-43(2)36-20-9-6-19-35(36)41-39(43)40(44-42(45-41)30-13-4-3-5-14-30)29-25-23-28(24-26-29)31-15-12-16-32(27-31)46-37-21-10-7-17-33(37)34-18-8-11-22-38(34)46/h3-27H,1-2H3
InChIKeyBTUTXGFBHDLPHI-UHFFFAOYSA-N
MW589.74 g/mol
LogP10.88
Rot. Bonds4

About 4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine

4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine (PubChem CID 118476770) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
PubChem CID118476770
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c21
InChIInChI=1S/C43H31N3/c1-43(2)36-20-9-6-19-35(36)41-39(43)40(44-42(45-41)30-13-4-3-5-14-30)29-25-23-28(24-26-29)31-15-12-16-32(27-31)46-37-21-10-7-17-33(37)34-18-8-11-22-38(34)46/h3-27H,1-2H3
InChIKeyBTUTXGFBHDLPHI-UHFFFAOYSA-N
XLogP10.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100275
2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidine
CID 118100168
5-[3-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130334469
11-[3-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 130334510
4-(3-carbazol-9-ylphenyl)-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-(3-carbazol-9-ylphenyl)-5,5-dimethyl-2-(4-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine;4-(3-carbazol-9-ylphenyl)-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
CID 160617282
11-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 130333933
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 130333924
2-(4-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine;2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine;9H-fluorene
CID 160836570
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
4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 118527794
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
The IUPAC name of 4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine (CID 118476770) is 4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
The canonical SMILES for 4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine is CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c21.
What is the InChIKey of 4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
The InChIKey is BTUTXGFBHDLPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-43(2)36-20-9-6-19-35(36)41-39(43)40(44-42(45-41)30-13-4-3-5-14-30)29-25-23-28(24-26-29)31-15-12-16-32(27-31)46-37-21-10-7-17-33(37)34-18-8-11-22-38(34)46/h3-27H,1-2H3.
What are the key properties of 4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine has a molecular weight of 589.74 g/mol, XLogP of 10.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine is sourced from PubChem (CID 118476770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).