4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene

C132H84S3 — CID 157203788

IUPAC4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc(-c2cccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)c1.c1cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-c2cccc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)c2)c1
InChIInChI=1S/2C50H32S.C32H20S/c1-2-18-42-41(11-1)32-48(45-20-4-3-19-44(42)45)40-17-9-16-39(31-40)38-15-8-14-37(30-38)36-13-7-12-35(29-36)33-25-27-34(28-26-33)43-22-10-23-47-46-21-5-6-24-49(46)51-50(43)47;1-2-15-42-41(10-1)32-48(45-17-4-3-16-44(42)45)36-28-24-34(25-29-36)38-12-8-14-40(31-38)39-13-7-11-37(30-39)33-22-26-35(27-23-33)43-19-9-20-47-46-18-5-6-21-49(46)51-50(43)47;1-2-12-24-23(9-1)20-30(27-14-4-3-13-26(24)27)22-11-7-10-21(19-22)25-16-8-17-29-28-15-5-6-18-31(28)33-32(25)29/h2*1-32H;1-20H
InChIKeyARCLZJPKCCSPHJ-UHFFFAOYSA-N
MW1766.32 g/mol
LogP39.09
Rot. Bonds12

About 4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene

4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene (PubChem CID 157203788) has the molecular formula C132H84S3 and a molecular weight of 1766.32 g/mol. Its IUPAC name is 4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene
PubChem CID157203788
Molecular FormulaC132H84S3
Molecular Weight1766.32 g/mol
Exact Mass1764.57
IUPAC Name4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc(-c2cccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)c1.c1cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-c2cccc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)c2)c1
InChIInChI=1S/2C50H32S.C32H20S/c1-2-18-42-41(11-1)32-48(45-20-4-3-19-44(42)45)40-17-9-16-39(31-40)38-15-8-14-37(30-38)36-13-7-12-35(29-36)33-25-27-34(28-26-33)43-22-10-23-47-46-21-5-6-24-49(46)51-50(43)47;1-2-15-42-41(10-1)32-48(45-17-4-3-16-44(42)45)36-28-24-34(25-29-36)38-12-8-14-40(31-38)39-13-7-11-37(30-39)33-22-26-35(27-23-33)43-19-9-20-47-46-18-5-6-21-49(46)51-50(43)47;1-2-12-24-23(9-1)20-30(27-14-4-3-13-26(24)27)22-11-7-10-21(19-22)25-16-8-17-29-28-15-5-6-18-31(28)33-32(25)29/h2*1-32H;1-20H
InChIKeyARCLZJPKCCSPHJ-UHFFFAOYSA-N
XLogP39.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001766.32
LogP ≤ 539.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3-phenanthren-9-ylphenyl)phenyl]dibenzothiophene
CID 87423549
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-dibenzothiophen-4-yl-4-(3-phenanthren-9-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine
CID 139441740
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-[4-[3-(4-tert-butylphenyl)phenanthren-9-yl]phenyl]dibenzothiophene
CID 87688457
5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole
CID 159374345
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
CID 167234194
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine
CID 155481419

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene?
The IUPAC name of 4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene (CID 157203788) is 4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene.
What is the SMILES notation for 4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene?
The canonical SMILES for 4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene is c1cc(-c2cc3ccccc3c3ccccc23)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc(-c2cccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)c1.c1cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-c2cccc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)c2)c1.
What is the InChIKey of 4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene?
The InChIKey is ARCLZJPKCCSPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H32S.C32H20S/c1-2-18-42-41(11-1)32-48(45-20-4-3-19-44(42)45)40-17-9-16-39(31-40)38-15-8-14-37(30-38)36-13-7-12-35(29-36)33-25-27-34(28-26-33)43-22-10-23-47-46-21-5-6-24-49(46)51-50(43)47;1-2-15-42-41(10-1)32-48(45-17-4-3-16-44(42)45)36-28-24-34(25-29-36)38-12-8-14-40(31-38)39-13-7-11-37(30-39)33-22-26-35(27-23-33)43-19-9-20-47-46-18-5-6-21-49(46)51-50(43)47;1-2-12-24-23(9-1)20-30(27-14-4-3-13-26(24)27)22-11-7-10-21(19-22)25-16-8-17-29-28-15-5-6-18-31(28)33-32(25)29/h2*1-32H;1-20H.
What are the key properties of 4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene?
4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene has a molecular weight of 1766.32 g/mol, XLogP of 39.09, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene is sourced from PubChem (CID 157203788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).