2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline

C33H28NPS — CID 156655377

IUPAC2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline
SMILESCC1(C)c2ccccc2P2(=S)c3ccccc3C(C)(C)c3cc(-c4ccc5ccccc5n4)cc1c32
InChIInChI=1S/C33H28NPS/c1-32(2)23-12-6-9-15-29(23)35(36)30-16-10-7-13-24(30)33(3,4)26-20-22(19-25(32)31(26)35)28-18-17-21-11-5-8-14-27(21)34-28/h5-20H,1-4H3
InChIKeyVXHOFLZCPXVHFC-UHFFFAOYSA-N
MW501.64 g/mol
LogP6.94
Rot. Bonds1

About 2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline

2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline (PubChem CID 156655377) has the molecular formula C33H28NPS and a molecular weight of 501.64 g/mol. Its IUPAC name is 2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline.

Molecular Properties

Compound Name2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline
PubChem CID156655377
Molecular FormulaC33H28NPS
Molecular Weight501.64 g/mol
Exact Mass501.17
IUPAC Name2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline
SMILESCC1(C)c2ccccc2P2(=S)c3ccccc3C(C)(C)c3cc(-c4ccc5ccccc5n4)cc1c32
InChIInChI=1S/C33H28NPS/c1-32(2)23-12-6-9-15-29(23)35(36)30-16-10-7-13-24(30)33(3,4)26-20-22(19-25(32)31(26)35)28-18-17-21-11-5-8-14-27(21)34-28/h5-20H,1-4H3
InChIKeyVXHOFLZCPXVHFC-UHFFFAOYSA-N
XLogP6.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.64
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline with MolForge

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Related Compounds

2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine
CID 59747284
5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine
CID 59747274
13,13-dimethyl-5,10-di(quinolin-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70885595
2,6-bis(9,9-dimethylfluoren-2-yl)-4-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958731
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
iridium;tris(2-phenylquinoline)
CID 122129463
8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 156655217
6,6-dimethyl-5-(2-methyl-4-quinolin-2-ylphenyl)phenanthridine
CID 70884385
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline
CID 168797147
2-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline
CID 138573520
5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine
CID 59747209
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156

Frequently Asked Questions

What is the IUPAC name of 2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline?
The IUPAC name of 2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline (CID 156655377) is 2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline.
What is the SMILES notation for 2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline?
The canonical SMILES for 2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline is CC1(C)c2ccccc2P2(=S)c3ccccc3C(C)(C)c3cc(-c4ccc5ccccc5n4)cc1c32.
What is the InChIKey of 2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline?
The InChIKey is VXHOFLZCPXVHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28NPS/c1-32(2)23-12-6-9-15-29(23)35(36)30-16-10-7-13-24(30)33(3,4)26-20-22(19-25(32)31(26)35)28-18-17-21-11-5-8-14-27(21)34-28/h5-20H,1-4H3.
What are the key properties of 2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline?
2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline has a molecular weight of 501.64 g/mol, XLogP of 6.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8,14,14-tetramethyl-1-sulfanylidene-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)quinoline is sourced from PubChem (CID 156655377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).