3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene

C242H144S6 — CID 158302671

IUPAC3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene
SMILESc1ccc(-c2ccc3c(c2)sc2cc(-c4ccc(-c5ccc6ccc7c(-c8ccccc8)ccc8ccc5c6c87)cc4)ccc23)cc1.c1ccc(-c2ccc3c(c2)sc2cc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)ccc23)cc1.c1ccc(-c2ccc3c(c2)sc2cc(-c4ccc5ccc6c(-c7ccccc7)ccc7ccc4c5c76)ccc23)cc1.c1ccc(-c2ccccc2-c2ccc3c(c2)sc2cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc23)cc1.c1ccc2c(-c3ccc4c(c3)sc3cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc34)cccc2c1.c1ccc2cc(-c3ccc4c(c3)sc3cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc34)ccc2c1
InChIInChI=1S/C46H28S.3C40H24S.2C38H22S/c1-3-7-29(8-4-1)35-19-23-39-40-24-20-36(28-44(40)47-43(39)27-35)30-11-13-32(14-12-30)38-22-16-34-17-25-41-37(31-9-5-2-6-10-31)21-15-33-18-26-42(38)46(34)45(33)41;1-3-7-25(8-4-1)29-15-19-33-34-20-16-30(24-38(34)41-37(33)23-29)32-18-12-28-13-21-35-31(26-9-5-2-6-10-26)17-11-27-14-22-36(32)40(28)39(27)35;1-2-7-25(8-3-1)31-11-4-5-12-32(31)29-17-20-34-35-21-18-30(24-38(35)41-37(34)23-29)33-19-15-28-14-13-26-9-6-10-27-16-22-36(33)40(28)39(26)27;1-2-5-25(6-3-1)31-17-20-34-35-21-18-32(24-38(35)41-37(34)23-31)26-9-11-27(12-10-26)33-19-15-30-14-13-28-7-4-8-29-16-22-36(33)40(30)39(28)29;1-2-9-29-23(5-1)6-4-10-30(29)27-15-18-32-33-19-16-28(22-36(33)39-35(32)21-27)31-17-13-26-12-11-24-7-3-8-25-14-20-34(31)38(26)37(24)25;1-2-5-27-20-28(11-8-23(27)4-1)29-14-17-32-33-18-15-30(22-36(33)39-35(32)21-29)31-16-12-26-10-9-24-6-3-7-25-13-19-34(31)38(26)37(24)25/h1-28H;3*1-24H;2*1-22H
InChIKeyGMRKTCQMWPCZSF-UHFFFAOYSA-N
MW3244.22 g/mol
LogP72.36
Rot. Bonds17

About 3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene

3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene (PubChem CID 158302671) has the molecular formula C242H144S6 and a molecular weight of 3244.22 g/mol. Its IUPAC name is 3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene.

Molecular Properties

Compound Name3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene
PubChem CID158302671
Molecular FormulaC242H144S6
Molecular Weight3244.22 g/mol
Exact Mass3240.96
IUPAC Name3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene
SMILESc1ccc(-c2ccc3c(c2)sc2cc(-c4ccc(-c5ccc6ccc7c(-c8ccccc8)ccc8ccc5c6c87)cc4)ccc23)cc1.c1ccc(-c2ccc3c(c2)sc2cc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)ccc23)cc1.c1ccc(-c2ccc3c(c2)sc2cc(-c4ccc5ccc6c(-c7ccccc7)ccc7ccc4c5c76)ccc23)cc1.c1ccc(-c2ccccc2-c2ccc3c(c2)sc2cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc23)cc1.c1ccc2c(-c3ccc4c(c3)sc3cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc34)cccc2c1.c1ccc2cc(-c3ccc4c(c3)sc3cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc34)ccc2c1
InChIInChI=1S/C46H28S.3C40H24S.2C38H22S/c1-3-7-29(8-4-1)35-19-23-39-40-24-20-36(28-44(40)47-43(39)27-35)30-11-13-32(14-12-30)38-22-16-34-17-25-41-37(31-9-5-2-6-10-31)21-15-33-18-26-42(38)46(34)45(33)41;1-3-7-25(8-4-1)29-15-19-33-34-20-16-30(24-38(34)41-37(33)23-29)32-18-12-28-13-21-35-31(26-9-5-2-6-10-26)17-11-27-14-22-36(32)40(28)39(27)35;1-2-7-25(8-3-1)31-11-4-5-12-32(31)29-17-20-34-35-21-18-30(24-38(35)41-37(34)23-29)33-19-15-28-14-13-26-9-6-10-27-16-22-36(33)40(28)39(26)27;1-2-5-25(6-3-1)31-17-20-34-35-21-18-32(24-38(35)41-37(34)23-31)26-9-11-27(12-10-26)33-19-15-30-14-13-28-7-4-8-29-16-22-36(33)40(30)39(28)29;1-2-9-29-23(5-1)6-4-10-30(29)27-15-18-32-33-19-16-28(22-36(33)39-35(32)21-27)31-17-13-26-12-11-24-7-3-8-25-14-20-34(31)38(26)37(24)25;1-2-5-27-20-28(11-8-23(27)4-1)29-14-17-32-33-18-15-30(22-36(33)39-35(32)21-29)31-16-12-26-10-9-24-6-3-7-25-13-19-34(31)38(26)37(24)25/h1-28H;3*1-24H;2*1-22H
InChIKeyGMRKTCQMWPCZSF-UHFFFAOYSA-N
XLogP72.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms248
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003244.22
LogP ≤ 572.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene with MolForge

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Related Compounds

1-(3-naphthalen-2-ylphenyl)-6-[3-[3-[3-(6-phenylpyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-(3-naphthalen-2-ylphenyl)-6-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-[4-[3-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[2-[2-(3-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[4-[2-[2-(4-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159994110
3,7-bis(6-naphthalen-2-ylpyren-1-yl)dibenzothiophene
CID 59758560
3-pyren-1-yldibenzothiophene
CID 139479782
3-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-yldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-phenyldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(2-phenylphenyl)dibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(3-phenylphenyl)dibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(4-phenylphenyl)dibenzothiophene
CID 157076089
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
CID 123142819
1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene
CID 158032644
6-naphthalen-1-yl-21-(4-naphthalen-1-ylphenyl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene;6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene;6-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene;6-naphthalen-2-yl-21-(4-naphthalen-2-ylphenyl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 161357245
2-(6-dibenzothiophen-2-yl-3,8-diphenylpyren-1-yl)dibenzothiophene;2-[3,6-di(dibenzothiophen-2-yl)-8-dibenzothiophen-3-ylpyren-1-yl]dibenzothiophene;3,7-di(pyren-1-yl)dibenzothiophene
CID 158188631
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235827
1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene
CID 160969963
1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;1,6-dinaphthalen-1-yl-3-(3-phenylphenyl)pyrene;1,6-diphenyl-3-(4-phenylphenyl)pyrene
CID 159825914
2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326082

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene?
The IUPAC name of 3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene (CID 158302671) is 3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene.
What is the SMILES notation for 3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene?
The canonical SMILES for 3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene is c1ccc(-c2ccc3c(c2)sc2cc(-c4ccc(-c5ccc6ccc7c(-c8ccccc8)ccc8ccc5c6c87)cc4)ccc23)cc1.c1ccc(-c2ccc3c(c2)sc2cc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)ccc23)cc1.c1ccc(-c2ccc3c(c2)sc2cc(-c4ccc5ccc6c(-c7ccccc7)ccc7ccc4c5c76)ccc23)cc1.c1ccc(-c2ccccc2-c2ccc3c(c2)sc2cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc23)cc1.c1ccc2c(-c3ccc4c(c3)sc3cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc34)cccc2c1.c1ccc2cc(-c3ccc4c(c3)sc3cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc34)ccc2c1.
What is the InChIKey of 3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene?
The InChIKey is GMRKTCQMWPCZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28S.3C40H24S.2C38H22S/c1-3-7-29(8-4-1)35-19-23-39-40-24-20-36(28-44(40)47-43(39)27-35)30-11-13-32(14-12-30)38-22-16-34-17-25-41-37(31-9-5-2-6-10-31)21-15-33-18-26-42(38)46(34)45(33)41;1-3-7-25(8-4-1)29-15-19-33-34-20-16-30(24-38(34)41-37(33)23-29)32-18-12-28-13-21-35-31(26-9-5-2-6-10-26)17-11-27-14-22-36(32)40(28)39(27)35;1-2-7-25(8-3-1)31-11-4-5-12-32(31)29-17-20-34-35-21-18-30(24-38(35)41-37(34)23-29)33-19-15-28-14-13-26-9-6-10-27-16-22-36(33)40(28)39(26)27;1-2-5-25(6-3-1)31-17-20-34-35-21-18-32(24-38(35)41-37(34)23-31)26-9-11-27(12-10-26)33-19-15-30-14-13-28-7-4-8-29-16-22-36(33)40(30)39(28)29;1-2-9-29-23(5-1)6-4-10-30(29)27-15-18-32-33-19-16-28(22-36(33)39-35(32)21-27)31-17-13-26-12-11-24-7-3-8-25-14-20-34(31)38(26)37(24)25;1-2-5-27-20-28(11-8-23(27)4-1)29-14-17-32-33-18-15-30(22-36(33)39-35(32)21-29)31-16-12-26-10-9-24-6-3-7-25-13-19-34(31)38(26)37(24)25/h1-28H;3*1-24H;2*1-22H.
What are the key properties of 3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene?
3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene has a molecular weight of 3244.22 g/mol, XLogP of 72.36, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene is sourced from PubChem (CID 158302671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).