7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene

C24H15NS — CID 144609075

IUPAC7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
SMILESc1ccc(-c2ccc3[nH]c4c5ccc6ccccc6c5sc4c3c2)cc1
InChIInChI=1S/C24H15NS/c1-2-6-15(7-3-1)17-11-13-21-20(14-17)24-22(25-21)19-12-10-16-8-4-5-9-18(16)23(19)26-24/h1-14,25H
InChIKeyJJVODHTWHTVQGF-UHFFFAOYSA-N
MW349.46 g/mol
LogP7.36
Rot. Bonds1

About 7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene

7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene (PubChem CID 144609075) has the molecular formula C24H15NS and a molecular weight of 349.46 g/mol. Its IUPAC name is 7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene.

Molecular Properties

Compound Name7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
PubChem CID144609075
Molecular FormulaC24H15NS
Molecular Weight349.46 g/mol
Exact Mass349.09
IUPAC Name7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
SMILESc1ccc(-c2ccc3[nH]c4c5ccc6ccccc6c5sc4c3c2)cc1
InChIInChI=1S/C24H15NS/c1-2-6-15(7-3-1)17-11-13-21-20(14-17)24-22(25-21)19-12-10-16-8-4-5-9-18(16)23(19)26-24/h1-14,25H
InChIKeyJJVODHTWHTVQGF-UHFFFAOYSA-N
XLogP7.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene with MolForge

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Related Compounds

1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole
CID 142570567
5-phenyl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 134182644
8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
CID 90433601
6-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;13-phenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-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;3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;16-thia-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 163535088
8-phenyl-6-(4-phenylphenyl)-5H-benzo[b]carbazole
CID 172768934
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-thiahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene
CID 130188999
3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289
4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole
CID 142572200
boric acid;9-phenyl-12H-[1]benzothiolo[3,2-a]carbazole
CID 159474235
2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole
CID 71234830
9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
CID 90433739

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene?
The IUPAC name of 7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene (CID 144609075) is 7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene.
What is the SMILES notation for 7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene?
The canonical SMILES for 7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene is c1ccc(-c2ccc3[nH]c4c5ccc6ccccc6c5sc4c3c2)cc1.
What is the InChIKey of 7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene?
The InChIKey is JJVODHTWHTVQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NS/c1-2-6-15(7-3-1)17-11-13-21-20(14-17)24-22(25-21)19-12-10-16-8-4-5-9-18(16)23(19)26-24/h1-14,25H.
What are the key properties of 7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene?
7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene has a molecular weight of 349.46 g/mol, XLogP of 7.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene is sourced from PubChem (CID 144609075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).