diphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane

C46H31N2PS — CID 126655974

IUPACdiphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccc4c(c3)N(c3ccccc3)c3cccc5c6ccccc6n-4c35)cccc12
InChIInChI=1S/C46H31N2PS/c50-49(34-17-6-2-7-18-34,35-19-8-3-9-20-35)45-28-14-23-37-36(22-12-24-39(37)45)32-29-30-42-44(31-32)47(33-15-4-1-5-16-33)43-27-13-25-40-38-21-10-11-26-41(38)48(42)46(40)43/h1-31H
InChIKeyNWKVYLRGXDJTOT-UHFFFAOYSA-N
MW674.81 g/mol
LogP11.14
Rot. Bonds5

About diphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane

diphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane (PubChem CID 126655974) has the molecular formula C46H31N2PS and a molecular weight of 674.81 g/mol. Its IUPAC name is diphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane
PubChem CID126655974
Molecular FormulaC46H31N2PS
Molecular Weight674.81 g/mol
Exact Mass674.19
IUPAC Namediphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccc4c(c3)N(c3ccccc3)c3cccc5c6ccccc6n-4c35)cccc12
InChIInChI=1S/C46H31N2PS/c50-49(34-17-6-2-7-18-34,35-19-8-3-9-20-35)45-28-14-23-37-36(22-12-24-39(37)45)32-29-30-42-44(31-32)47(33-15-4-1-5-16-33)43-27-13-25-40-38-21-10-11-26-41(38)48(42)46(40)43/h1-31H
InChIKeyNWKVYLRGXDJTOT-UHFFFAOYSA-N
XLogP11.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.81
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diphenyl-[4-[2-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)pyrimidin-5-yl]phenyl]-selanylidene-λ5-phosphane
CID 140776298
5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 158120913
4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
CID 170386628
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 170660098
2-phenyl-9-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]carbazole
CID 166037119
11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171467608
11-(9-phenylcarbazol-1-yl)-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 164936300
18-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 121386081
14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene
CID 118216147
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169

Frequently Asked Questions

What is the IUPAC name of diphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane?
The IUPAC name of diphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane (CID 126655974) is diphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane?
The canonical SMILES for diphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane is S=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccc4c(c3)N(c3ccccc3)c3cccc5c6ccccc6n-4c35)cccc12.
What is the InChIKey of diphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane?
The InChIKey is NWKVYLRGXDJTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N2PS/c50-49(34-17-6-2-7-18-34,35-19-8-3-9-20-35)45-28-14-23-37-36(22-12-24-39(37)45)32-29-30-42-44(31-32)47(33-15-4-1-5-16-33)43-27-13-25-40-38-21-10-11-26-41(38)48(42)46(40)43/h1-31H.
What are the key properties of diphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane?
diphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane has a molecular weight of 674.81 g/mol, XLogP of 11.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-1-yl]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 126655974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).