9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole

C55H37NS — CID 170348414

IUPAC9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole
SMILESc1ccc(-c2cccc(C3CCc4cc5c6c(cccc6c4-c4ccccc43)Sc3ccc(-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)cc3-5)c2)cc1
InChIInChI=1S/C55H37NS/c1-3-13-35(14-4-1)36-15-11-16-39(31-36)42-28-25-40-34-49-48-33-38(27-30-52(48)57-53-24-12-22-46(55(49)53)54(40)45-21-8-7-19-43(42)45)37-26-29-51-47(32-37)44-20-9-10-23-50(44)56(51)41-17-5-2-6-18-41/h1-24,26-27,29-34,42H,25,28H2
InChIKeyDHNSXBUPWPJDRD-UHFFFAOYSA-N
MW743.98 g/mol
LogP15.15
Rot. Bonds4

About 9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole

9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole (PubChem CID 170348414) has the molecular formula C55H37NS and a molecular weight of 743.98 g/mol. Its IUPAC name is 9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole
PubChem CID170348414
Molecular FormulaC55H37NS
Molecular Weight743.98 g/mol
Exact Mass743.26
IUPAC Name9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole
SMILESc1ccc(-c2cccc(C3CCc4cc5c6c(cccc6c4-c4ccccc43)Sc3ccc(-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)cc3-5)c2)cc1
InChIInChI=1S/C55H37NS/c1-3-13-35(14-4-1)36-15-11-16-39(31-36)42-28-25-40-34-49-48-33-38(27-30-52(48)57-53-24-12-22-46(55(49)53)54(40)45-21-8-7-19-43(42)45)37-26-29-51-47(32-37)44-20-9-10-23-50(44)56(51)41-17-5-2-6-18-41/h1-24,26-27,29-34,42H,25,28H2
InChIKeyDHNSXBUPWPJDRD-UHFFFAOYSA-N
XLogP15.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.98
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole with MolForge

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Related Compounds

9-[(9S)-9-naphthalen-2-yl-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-18-yl]-3-phenylcarbazole
CID 170348629
3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole
CID 170348369
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
9-phenyl-3-(11-phenyl-8,21-dithiapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-3-yl)carbazole
CID 118860605
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
9-[4-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)phenyl]-3-triphenylen-2-ylcarbazole
CID 131969711
3-[4-[12-(2,3,4,5,6-pentadeuteriophenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl]phenyl]-9-phenylcarbazole
CID 177127166
21-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
CID 167137882
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
6-(3,6-diphenylcarbazol-9-yl)-21-phenyl-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 167137734
9-naphthalen-2-yl-3-[10-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195500
29-[8-phenyl-14-(9-phenylcarbazol-3-yl)-4-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-22,33-dithia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 163923252

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole?
The IUPAC name of 9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole (CID 170348414) is 9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole is c1ccc(-c2cccc(C3CCc4cc5c6c(cccc6c4-c4ccccc43)Sc3ccc(-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)cc3-5)c2)cc1.
What is the InChIKey of 9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole?
The InChIKey is DHNSXBUPWPJDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NS/c1-3-13-35(14-4-1)36-15-11-16-39(31-36)42-28-25-40-34-49-48-33-38(27-30-52(48)57-53-24-12-22-46(55(49)53)54(40)45-21-8-7-19-43(42)45)37-26-29-51-47(32-37)44-20-9-10-23-50(44)56(51)41-17-5-2-6-18-41/h1-24,26-27,29-34,42H,25,28H2.
What are the key properties of 9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole?
9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole has a molecular weight of 743.98 g/mol, XLogP of 15.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole is sourced from PubChem (CID 170348414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).