diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane

C48H32Si — CID 151796817

IUPACdiphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane
SMILESc1ccc([SiH](c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cc5ccc6cccc7ccc(c4)c5c67)c4ccccc34)cc2)cc1
InChIInChI=1S/C48H32Si/c1-3-14-38(15-4-1)49(39-16-5-2-6-17-39)40-28-26-34(27-29-40)47-41-18-7-9-20-43(41)48(44-21-10-8-19-42(44)47)37-30-35-24-22-32-12-11-13-33-23-25-36(31-37)46(35)45(32)33/h1-31,49H
InChIKeyRXTSFHQCRSGLBC-UHFFFAOYSA-N
MW636.87 g/mol
LogP10.47
Rot. Bonds5

About diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane

diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane (PubChem CID 151796817) has the molecular formula C48H32Si and a molecular weight of 636.87 g/mol. Its IUPAC name is diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane.

Molecular Properties

Compound Namediphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane
PubChem CID151796817
Molecular FormulaC48H32Si
Molecular Weight636.87 g/mol
Exact Mass636.23
IUPAC Namediphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane
SMILESc1ccc([SiH](c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cc5ccc6cccc7ccc(c4)c5c67)c4ccccc34)cc2)cc1
InChIInChI=1S/C48H32Si/c1-3-14-38(15-4-1)49(39-16-5-2-6-17-39)40-28-26-34(27-29-40)47-41-18-7-9-20-43(41)48(44-21-10-8-19-42(44)47)37-30-35-24-22-32-12-11-13-33-23-25-36(31-37)46(35)45(32)33/h1-31,49H
InChIKeyRXTSFHQCRSGLBC-UHFFFAOYSA-N
XLogP10.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.87
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-(10-phenylanthracen-9-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412900
4-[4-(10-phenylanthracen-9-yl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412773
2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene
CID 167155329
4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
CID 58672227
1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
CID 142727128
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
CID 167155318
anthracene;chrysene;9,10-diphenylanthracene;naphthalene;pyrene
CID 174820118
4-[10-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)anthracen-9-yl]pyridine
CID 167411574
16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene
CID 167411794
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868

Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane?
The IUPAC name of diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane (CID 151796817) is diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane.
What is the SMILES notation for diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane?
The canonical SMILES for diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane is c1ccc([SiH](c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cc5ccc6cccc7ccc(c4)c5c67)c4ccccc34)cc2)cc1.
What is the InChIKey of diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane?
The InChIKey is RXTSFHQCRSGLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32Si/c1-3-14-38(15-4-1)49(39-16-5-2-6-17-39)40-28-26-34(27-29-40)47-41-18-7-9-20-43(41)48(44-21-10-8-19-42(44)47)37-30-35-24-22-32-12-11-13-33-23-25-36(31-37)46(35)45(32)33/h1-31,49H.
What are the key properties of diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane?
diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane has a molecular weight of 636.87 g/mol, XLogP of 10.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane is sourced from PubChem (CID 151796817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).