8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole

C49H33N3 — CID 142571600

IUPAC8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
SMILESCC1(C)c2cc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)c6ccccc6n5)c34)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C49H33N3/c1-49(2)40-27-24-30-13-6-8-17-34(30)44(40)37-26-23-33(29-41(37)49)36-20-12-21-39-45-35-18-9-7-14-31(35)25-28-43(45)52(47(36)39)48-50-42-22-11-10-19-38(42)46(51-48)32-15-4-3-5-16-32/h3-29H,1-2H3
InChIKeyYYTXPIRAJAVYJW-UHFFFAOYSA-N
MW663.82 g/mol
LogP12.67
Rot. Bonds3

About 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole

8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole (PubChem CID 142571600) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
PubChem CID142571600
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
SMILESCC1(C)c2cc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)c6ccccc6n5)c34)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C49H33N3/c1-49(2)40-27-24-30-13-6-8-17-34(30)44(40)37-26-23-33(29-41(37)49)36-20-12-21-39-45-35-18-9-7-14-31(35)25-28-43(45)52(47(36)39)48-50-42-22-11-10-19-38(42)46(51-48)32-15-4-3-5-16-32/h3-29H,1-2H3
InChIKeyYYTXPIRAJAVYJW-UHFFFAOYSA-N
XLogP12.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 142571634
1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 142569637
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431410
4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 142570065
12,12-dimethyl-22-(4-phenylquinazolin-2-yl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 122464936
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
5,5-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.06,11.017,26.018,23]heptacosa-1(16),2(13),4(12),6,8,10,14,17(26),18,20,22,24-dodecaene
CID 118602287
23-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 157051523
3-(4-phenylquinazolin-2-yl)-3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene
CID 118301095
4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)benzo[b]carbazole;ethane
CID 142569829
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
17,17-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122464909

Frequently Asked Questions

What is the IUPAC name of 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole?
The IUPAC name of 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole (CID 142571600) is 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole?
The canonical SMILES for 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole is CC1(C)c2cc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)c6ccccc6n5)c34)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole?
The InChIKey is YYTXPIRAJAVYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-49(2)40-27-24-30-13-6-8-17-34(30)44(40)37-26-23-33(29-41(37)49)36-20-12-21-39-45-35-18-9-7-14-31(35)25-28-43(45)52(47(36)39)48-50-42-22-11-10-19-38(42)46(51-48)32-15-4-3-5-16-32/h3-29H,1-2H3.
What are the key properties of 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole?
8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole has a molecular weight of 663.82 g/mol, XLogP of 12.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 142571600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).