7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine

C118H82N8 — CID 158448392

IUPAC7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccn3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)c21
InChIInChI=1S/2C41H28N2.C36H26N4/c1-41(2)35-24-27(28-22-23-33-30-17-10-9-16-29(30)32-19-11-18-31(28)36(32)33)20-21-34(35)39-37(41)38(25-12-5-3-6-13-25)42-40(43-39)26-14-7-4-8-15-26;1-41(2)35-21-9-8-18-34(35)39-37(41)38(42-40(43-39)25-12-4-3-5-13-25)27-15-10-14-26(24-27)28-22-23-33-30-17-7-6-16-29(30)32-20-11-19-31(28)36(32)33;1-36(2)28-22-24(40-30-17-8-6-14-25(30)26-15-7-9-18-31(26)40)19-20-27(28)33-32(36)34(29-16-10-11-21-37-29)39-35(38-33)23-12-4-3-5-13-23/h2*3-24H,1-2H3;3-22H,1-2H3
InChIKeyHDRFMBVRXZFOTF-UHFFFAOYSA-N
MW1612.01 g/mol
LogP29.78
Rot. Bonds9

About 7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine

7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine (PubChem CID 158448392) has the molecular formula C118H82N8 and a molecular weight of 1612.01 g/mol. Its IUPAC name is 7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
PubChem CID158448392
Molecular FormulaC118H82N8
Molecular Weight1612.01 g/mol
Exact Mass1610.67
IUPAC Name7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccn3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)c21
InChIInChI=1S/2C41H28N2.C36H26N4/c1-41(2)35-24-27(28-22-23-33-30-17-10-9-16-29(30)32-19-11-18-31(28)36(32)33)20-21-34(35)39-37(41)38(25-12-5-3-6-13-25)42-40(43-39)26-14-7-4-8-15-26;1-41(2)35-21-9-8-18-34(35)39-37(41)38(42-40(43-39)25-12-4-3-5-13-25)27-15-10-14-26(24-27)28-22-23-33-30-17-7-6-16-29(30)32-20-11-19-31(28)36(32)33;1-36(2)28-22-24(40-30-17-8-6-14-25(30)26-15-7-9-18-31(26)40)19-20-27(28)33-32(36)34(29-16-10-11-21-37-29)39-35(38-33)23-12-4-3-5-13-23/h2*3-24H,1-2H3;3-22H,1-2H3
InChIKeyHDRFMBVRXZFOTF-UHFFFAOYSA-N
XLogP29.78
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001612.01
LogP ≤ 529.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine with MolForge

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Related Compounds

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
4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118476770
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
4,14-bis[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-14-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 159471694
5,5-dimethyl-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100275
11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 130333924
7-dibenzofuran-4-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118476820
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
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
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine
CID 168777700
4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 118527794

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
The IUPAC name of 7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine (CID 158448392) is 7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine.
What is the SMILES notation for 7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
The canonical SMILES for 7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine is CC1(C)c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccn3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)c21.
What is the InChIKey of 7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
The InChIKey is HDRFMBVRXZFOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H28N2.C36H26N4/c1-41(2)35-24-27(28-22-23-33-30-17-10-9-16-29(30)32-19-11-18-31(28)36(32)33)20-21-34(35)39-37(41)38(25-12-5-3-6-13-25)42-40(43-39)26-14-7-4-8-15-26;1-41(2)35-21-9-8-18-34(35)39-37(41)38(42-40(43-39)25-12-4-3-5-13-25)27-15-10-14-26(24-27)28-22-23-33-30-17-7-6-16-29(30)32-20-11-19-31(28)36(32)33;1-36(2)28-22-24(40-30-17-8-6-14-25(30)26-15-7-9-18-31(26)40)19-20-27(28)33-32(36)34(29-16-10-11-21-37-29)39-35(38-33)23-12-4-3-5-13-23/h2*3-24H,1-2H3;3-22H,1-2H3.
What are the key properties of 7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine has a molecular weight of 1612.01 g/mol, XLogP of 29.78, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine;7-fluoranthen-3-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(3-fluoranthen-3-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine is sourced from PubChem (CID 158448392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).