5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole

C138H89N9S3 — CID 158629951

IUPAC5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5sc6c(-c7nc(-c8ccccc8)c8ccccc8n7)cccc6c5ccc43)ccc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5sc6c(-c7nc(-c8ccccc8)c8ccccc8n7)cccc6c5ccc43)cc21.c1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4c5ccc5c4c4ccccc4n5-c4ccccc4)cc3)nc3ccccc23)cc1
InChIInChI=1S/2C47H31N3S.C44H27N3S/c1-47(2)37-20-9-6-15-30(37)36-27-29(23-25-38(36)47)50-40-22-11-8-17-34(40)42-41(50)26-24-32-31-18-12-19-35(44(31)51-45(32)42)46-48-39-21-10-7-16-33(39)43(49-46)28-13-4-3-5-14-28;1-47(2)37-20-9-6-15-30(37)31-24-23-29(27-38(31)47)50-40-22-11-8-17-35(40)42-41(50)26-25-33-32-18-12-19-36(44(32)51-45(33)42)46-48-39-21-10-7-16-34(39)43(49-46)28-13-4-3-5-14-28;1-3-12-29(13-4-1)41-35-16-7-9-20-37(35)45-44(46-41)30-24-22-28(23-25-30)32-18-11-19-33-34-26-27-39-40(43(34)48-42(32)33)36-17-8-10-21-38(36)47(39)31-14-5-2-6-15-31/h2*3-27H,1-2H3;1-27H
InChIKeyHZBJXTDNDJSJOL-UHFFFAOYSA-N
MW1969.49 g/mol
LogP37.57
Rot. Bonds10

About 5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole

5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 158629951) has the molecular formula C138H89N9S3 and a molecular weight of 1969.49 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID158629951
Molecular FormulaC138H89N9S3
Molecular Weight1969.49 g/mol
Exact Mass1967.64
IUPAC Name5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5sc6c(-c7nc(-c8ccccc8)c8ccccc8n7)cccc6c5ccc43)ccc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5sc6c(-c7nc(-c8ccccc8)c8ccccc8n7)cccc6c5ccc43)cc21.c1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4c5ccc5c4c4ccccc4n5-c4ccccc4)cc3)nc3ccccc23)cc1
InChIInChI=1S/2C47H31N3S.C44H27N3S/c1-47(2)37-20-9-6-15-30(37)36-27-29(23-25-38(36)47)50-40-22-11-8-17-34(40)42-41(50)26-24-32-31-18-12-19-35(44(31)51-45(32)42)46-48-39-21-10-7-16-33(39)43(49-46)28-13-4-3-5-14-28;1-47(2)37-20-9-6-15-30(37)31-24-23-29(27-38(31)47)50-40-22-11-8-17-35(40)42-41(50)26-25-33-32-18-12-19-36(44(32)51-45(33)42)46-48-39-21-10-7-16-34(39)43(49-46)28-13-4-3-5-14-28;1-3-12-29(13-4-1)41-35-16-7-9-20-37(35)45-44(46-41)30-24-22-28(23-25-30)32-18-11-19-33-34-26-27-39-40(43(34)48-42(32)33)36-17-8-10-21-38(36)47(39)31-14-5-2-6-15-31/h2*3-27H,1-2H3;1-27H
InChIKeyHZBJXTDNDJSJOL-UHFFFAOYSA-N
XLogP37.57
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001969.49
LogP ≤ 537.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole with MolForge

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Related Compounds

11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 146541406
9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 146617191
12,12-dimethyl-5-[3-(2-phenylquinazolin-4-yl)phenyl]indeno[1,2-c]carbazole
CID 139422523
4-[4-[24-(9,9-dimethylfluoren-2-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N,N-diphenylaniline
CID 118651731
6-[3-(4-phenylquinazolin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,26.018,23]octacosa-1(16),2(14),3,5(13),7,9,11,17(26),18,20,22,24,27-tridecaene
CID 163734665
3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole
CID 145327894
2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
CID 160512960
7-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[c]carbazole;3-(3-phenylphenyl)-5-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 158126193
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162005580
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 122501672
5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 160917580
3-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-9-yl]-9-phenylcarbazole;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]carbazole
CID 162231270

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 158629951) is 5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5sc6c(-c7nc(-c8ccccc8)c8ccccc8n7)cccc6c5ccc43)ccc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5sc6c(-c7nc(-c8ccccc8)c8ccccc8n7)cccc6c5ccc43)cc21.c1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4c5ccc5c4c4ccccc4n5-c4ccccc4)cc3)nc3ccccc23)cc1.
What is the InChIKey of 5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is HZBJXTDNDJSJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H31N3S.C44H27N3S/c1-47(2)37-20-9-6-15-30(37)36-27-29(23-25-38(36)47)50-40-22-11-8-17-34(40)42-41(50)26-24-32-31-18-12-19-35(44(31)51-45(32)42)46-48-39-21-10-7-16-33(39)43(49-46)28-13-4-3-5-14-28;1-47(2)37-20-9-6-15-30(37)31-24-23-29(27-38(31)47)50-40-22-11-8-17-35(40)42-41(50)26-25-33-32-18-12-19-36(44(32)51-45(33)42)46-48-39-21-10-7-16-34(39)43(49-46)28-13-4-3-5-14-28;1-3-12-29(13-4-1)41-35-16-7-9-20-37(35)45-44(46-41)30-24-22-28(23-25-30)32-18-11-19-33-34-26-27-39-40(43(34)48-42(32)33)36-17-8-10-21-38(36)47(39)31-14-5-2-6-15-31/h2*3-27H,1-2H3;1-27H.
What are the key properties of 5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 1969.49 g/mol, XLogP of 37.57, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 158629951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).