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

C75H56BrN5 — CID 160836570

IUPAC2-(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
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3ccc(Br)cc3)nc(-c3ccccc3)c21.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C37H27N3.C25H19BrN2.C13H10/c1-37(2)30-17-9-6-16-29(30)35-33(37)34(24-12-4-3-5-13-24)38-36(39-35)25-20-22-26(23-21-25)40-31-18-10-7-14-27(31)28-15-8-11-19-32(28)40;1-25(2)20-11-7-6-10-19(20)23-21(25)22(16-8-4-3-5-9-16)27-24(28-23)17-12-14-18(26)15-13-17;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h3-23H,1-2H3;3-15H,1-2H3;1-8H,9H2
InChIKeySHMHLDWZQCIWHG-UHFFFAOYSA-N
MW1107.21 g/mol
LogP19.35
Rot. Bonds5

About 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

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 (PubChem CID 160836570) has the molecular formula C75H56BrN5 and a molecular weight of 1107.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID160836570
Molecular FormulaC75H56BrN5
Molecular Weight1107.21 g/mol
Exact Mass1105.37
IUPAC Name2-(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
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3ccc(Br)cc3)nc(-c3ccccc3)c21.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C37H27N3.C25H19BrN2.C13H10/c1-37(2)30-17-9-6-16-29(30)35-33(37)34(24-12-4-3-5-13-24)38-36(39-35)25-20-22-26(23-21-25)40-31-18-10-7-14-27(31)28-15-8-11-19-32(28)40;1-25(2)20-11-7-6-10-19(20)23-21(25)22(16-8-4-3-5-9-16)27-24(28-23)17-12-14-18(26)15-13-17;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h3-23H,1-2H3;3-15H,1-2H3;1-8H,9H2
InChIKeySHMHLDWZQCIWHG-UHFFFAOYSA-N
XLogP19.35
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.21
LogP ≤ 519.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118476770
5,5-dimethyl-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100275
4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 118527794
2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidine
CID 118100168
11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 130333924
5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene
CID 159763803
11-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 130333933
5-[3-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130334469
9-[4-[4-(4-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142751576
2-bromo-9,9-dimethylfluorene;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 157054225
2-(4-dibenzothiophen-4-ylphenyl)-5,5-dimethyl-4-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidine
CID 118100174
5-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazole;7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 159218476

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3ccc(Br)cc3)nc(-c3ccccc3)c21.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 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?
The InChIKey is SHMHLDWZQCIWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3.C25H19BrN2.C13H10/c1-37(2)30-17-9-6-16-29(30)35-33(37)34(24-12-4-3-5-13-24)38-36(39-35)25-20-22-26(23-21-25)40-31-18-10-7-14-27(31)28-15-8-11-19-32(28)40;1-25(2)20-11-7-6-10-19(20)23-21(25)22(16-8-4-3-5-9-16)27-24(28-23)17-12-14-18(26)15-13-17;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h3-23H,1-2H3;3-15H,1-2H3;1-8H,9H2.
What are the key properties of 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?
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 has a molecular weight of 1107.21 g/mol, XLogP of 19.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160836570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).