8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole

C45H31N3 — CID 142570363

IUPAC8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc6ccccc6nc5-c5ccccc5)c34)c21
InChIInChI=1S/C45H31N3/c1-45(2)36-23-9-8-18-31(36)32-19-12-20-33(41(32)45)34-21-13-22-35-40-30-17-7-6-14-28(30)26-27-39(40)48(43(34)35)44-42(29-15-4-3-5-16-29)46-37-24-10-11-25-38(37)47-44/h3-27H,1-2H3
InChIKeyXBNXMVGLULWZFZ-UHFFFAOYSA-N
MW613.76 g/mol
LogP11.52
Rot. Bonds3

About 8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole

8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole (PubChem CID 142570363) has the molecular formula C45H31N3 and a molecular weight of 613.76 g/mol. Its IUPAC name is 8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
PubChem CID142570363
Molecular FormulaC45H31N3
Molecular Weight613.76 g/mol
Exact Mass613.25
IUPAC Name8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc6ccccc6nc5-c5ccccc5)c34)c21
InChIInChI=1S/C45H31N3/c1-45(2)36-23-9-8-18-31(36)32-19-12-20-33(41(32)45)34-21-13-22-35-40-30-17-7-6-14-28(30)26-27-39(40)48(43(34)35)44-42(29-15-4-3-5-16-29)46-37-24-10-11-25-38(37)47-44/h3-27H,1-2H3
InChIKeyXBNXMVGLULWZFZ-UHFFFAOYSA-N
XLogP11.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142570474
8-dibenzofuran-2-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142571164
7-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163967651
9-naphthalen-1-yl-12-[3-(4-phenylphenyl)quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149761
9,9-dimethyl-15-(3-phenylquinoxalin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 129193081
12-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]-16-thia-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155020520
8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142570369
8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375005
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
3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146375173
26,26-dimethyl-25-[3-(4-phenylphenyl)quinoxalin-2-yl]-25-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 154692482
12-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 164829441

Frequently Asked Questions

What is the IUPAC name of 8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole?
The IUPAC name of 8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole (CID 142570363) is 8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole?
The canonical SMILES for 8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole is CC1(C)c2ccccc2-c2cccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc6ccccc6nc5-c5ccccc5)c34)c21.
What is the InChIKey of 8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole?
The InChIKey is XBNXMVGLULWZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3/c1-45(2)36-23-9-8-18-31(36)32-19-12-20-33(41(32)45)34-21-13-22-35-40-30-17-7-6-14-28(30)26-27-39(40)48(43(34)35)44-42(29-15-4-3-5-16-29)46-37-24-10-11-25-38(37)47-44/h3-27H,1-2H3.
What are the key properties of 8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole?
8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole has a molecular weight of 613.76 g/mol, XLogP of 11.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 142570363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).