7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene

C52H33NS — CID 145054823

IUPAC7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene
SMILESc1ccc(-c2ccc3sc4c5cc(-c6ccccc6)c6c7cc(-c8ccccc8)ccc7n(-c7ccccc7)c6c5cc(-c5ccccc5)c4c3c2)cc1
InChIInChI=1S/C52H33NS/c1-6-16-34(17-7-1)38-26-28-47-45(30-38)49-41(36-20-10-3-11-21-36)33-44-43(51(49)53(47)40-24-14-5-15-25-40)32-42(37-22-12-4-13-23-37)50-46-31-39(35-18-8-2-9-19-35)27-29-48(46)54-52(44)50/h1-33H
InChIKeyJJGDLRPHFFMGQK-UHFFFAOYSA-N
MW703.91 g/mol
LogP14.97
Rot. Bonds5

About 7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene

7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene (PubChem CID 145054823) has the molecular formula C52H33NS and a molecular weight of 703.91 g/mol. Its IUPAC name is 7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene.

Molecular Properties

Compound Name7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene
PubChem CID145054823
Molecular FormulaC52H33NS
Molecular Weight703.91 g/mol
Exact Mass703.23
IUPAC Name7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene
SMILESc1ccc(-c2ccc3sc4c5cc(-c6ccccc6)c6c7cc(-c8ccccc8)ccc7n(-c7ccccc7)c6c5cc(-c5ccccc5)c4c3c2)cc1
InChIInChI=1S/C52H33NS/c1-6-16-34(17-7-1)38-26-28-47-45(30-38)49-41(36-20-10-3-11-21-36)33-44-43(51(49)53(47)40-24-14-5-15-25-40)32-42(37-22-12-4-13-23-37)50-46-31-39(35-18-8-2-9-19-35)27-29-48(46)54-52(44)50/h1-33H
InChIKeyJJGDLRPHFFMGQK-UHFFFAOYSA-N
XLogP14.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.91
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene with MolForge

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Related Compounds

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CID 90126284
12-phenyl-5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 160860799
24-(4-phenylphenyl)-20-[4-[24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 129038210
3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole
CID 154591070
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 144585485
8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 163446651
9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole
CID 88572720
6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole
CID 123584276
12-naphthalen-2-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 134530208
14-phenyl-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 122593601

Frequently Asked Questions

What is the IUPAC name of 7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene?
The IUPAC name of 7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene (CID 145054823) is 7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene.
What is the SMILES notation for 7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene?
The canonical SMILES for 7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene is c1ccc(-c2ccc3sc4c5cc(-c6ccccc6)c6c7cc(-c8ccccc8)ccc7n(-c7ccccc7)c6c5cc(-c5ccccc5)c4c3c2)cc1.
What is the InChIKey of 7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene?
The InChIKey is JJGDLRPHFFMGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS/c1-6-16-34(17-7-1)38-26-28-47-45(30-38)49-41(36-20-10-3-11-21-36)33-44-43(51(49)53(47)40-24-14-5-15-25-40)32-42(37-22-12-4-13-23-37)50-46-31-39(35-18-8-2-9-19-35)27-29-48(46)54-52(44)50/h1-33H.
What are the key properties of 7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene?
7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene has a molecular weight of 703.91 g/mol, XLogP of 14.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11,15,19,23-pentakis-phenyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene is sourced from PubChem (CID 145054823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).