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

C127H81N9OS — CID 158126193

IUPAC7-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)nc4ccccc34)cc21.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c5c6oc7ccccc7c6ccc5n(-c5nc(-c6ccccc6)c6ccccc6n5)c4c3)c2)cc1
InChIInChI=1S/C45H31N3.C44H27N3O.C38H23N3S/c1-45(2)37-16-8-5-13-33(37)34-25-21-30(27-38(34)45)43-35-14-6-9-17-39(35)46-44(47-43)29-19-23-31(24-20-29)48-40-18-10-7-15-36(40)42-32-12-4-3-11-28(32)22-26-41(42)48;1-3-12-28(13-4-1)30-16-11-17-31(26-30)32-22-23-36-39(27-32)47(38-25-24-34-33-18-8-10-21-40(33)48-43(34)41(36)38)44-45-37-20-9-7-19-35(37)42(46-44)29-14-5-2-6-15-29;1-2-10-24(11-3-1)25-18-20-26(21-19-25)36-29-13-4-7-15-31(29)39-38(40-36)41-32-16-8-5-14-30(32)35-33(41)23-22-28-27-12-6-9-17-34(27)42-37(28)35/h3-27H,1-2H3;1-27H;1-23H
InChIKeyFSEYOLWKQWTQHR-UHFFFAOYSA-N
MW1781.17 g/mol
LogP33.58
Rot. Bonds10

About 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

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 (PubChem CID 158126193) has the molecular formula C127H81N9OS and a molecular weight of 1781.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID158126193
Molecular FormulaC127H81N9OS
Molecular Weight1781.17 g/mol
Exact Mass1779.63
IUPAC Name7-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)nc4ccccc34)cc21.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c5c6oc7ccccc7c6ccc5n(-c5nc(-c6ccccc6)c6ccccc6n5)c4c3)c2)cc1
InChIInChI=1S/C45H31N3.C44H27N3O.C38H23N3S/c1-45(2)37-16-8-5-13-33(37)34-25-21-30(27-38(34)45)43-35-14-6-9-17-39(35)46-44(47-43)29-19-23-31(24-20-29)48-40-18-10-7-15-36(40)42-32-12-4-3-11-28(32)22-26-41(42)48;1-3-12-28(13-4-1)30-16-11-17-31(26-30)32-22-23-36-39(27-32)47(38-25-24-34-33-18-8-10-21-40(33)48-43(34)41(36)38)44-45-37-20-9-7-19-35(37)42(46-44)29-14-5-2-6-15-29;1-2-10-24(11-3-1)25-18-20-26(21-19-25)36-29-13-4-7-15-31(29)39-38(40-36)41-32-16-8-5-14-30(32)35-33(41)23-22-28-27-12-6-9-17-34(27)42-37(28)35/h3-27H,1-2H3;1-27H;1-23H
InChIKeyFSEYOLWKQWTQHR-UHFFFAOYSA-N
XLogP33.58
TPSA105.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001781.17
LogP ≤ 533.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 158659410
5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 159749982
5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 158869733
2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 131979694
5-(4-dibenzofuran-4-ylquinazolin-2-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;5-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]quinazolin-2-yl]-2-phenylbenzo[b]carbazole
CID 161267924
3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 158788223
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine
CID 158855685
5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole
CID 160800413
11-(4-dibenzofuran-2-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-2-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;5-(9-phenylcarbazol-2-yl)-11-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[a]carbazole
CID 159284497
5-(3-naphthalen-2-ylnaphthalen-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-[4-(9-phenylcarbazol-2-yl)quinolin-2-yl]-[1]benzothiolo[3,2-c]carbazole;3-phenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 158091828
15-phenyl-19-[4-(4-phenylquinazolin-2-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;18-phenyl-22-(4-phenylquinazolin-2-yl)-3-thia-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene;22-phenyl-18-(4-phenylquinazolin-2-yl)-3-thia-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene
CID 159257499
10-benzo[b]carbazol-5-yl-7-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[c]carbazole;10-benzo[b]carbazol-5-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole;10-benzo[c]carbazol-7-yl-7-[4-(9,9-dimethylfluoren-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 163897076

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)nc4ccccc34)cc21.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c5c6oc7ccccc7c6ccc5n(-c5nc(-c6ccccc6)c6ccccc6n5)c4c3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is FSEYOLWKQWTQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3.C44H27N3O.C38H23N3S/c1-45(2)37-16-8-5-13-33(37)34-25-21-30(27-38(34)45)43-35-14-6-9-17-39(35)46-44(47-43)29-19-23-31(24-20-29)48-40-18-10-7-15-36(40)42-32-12-4-3-11-28(32)22-26-41(42)48;1-3-12-28(13-4-1)30-16-11-17-31(26-30)32-22-23-36-39(27-32)47(38-25-24-34-33-18-8-10-21-40(33)48-43(34)41(36)38)44-45-37-20-9-7-19-35(37)42(46-44)29-14-5-2-6-15-29;1-2-10-24(11-3-1)25-18-20-26(21-19-25)36-29-13-4-7-15-31(29)39-38(40-36)41-32-16-8-5-14-30(32)35-33(41)23-22-28-27-12-6-9-17-34(27)42-37(28)35/h3-27H,1-2H3;1-27H;1-23H.
What are the key properties of 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?
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 has a molecular weight of 1781.17 g/mol, XLogP of 33.58, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158126193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).