7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole

C155H107N3S3 — CID 161116165

IUPAC7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole
SMILESC.C.C.c1ccc(-c2ccc(-c3ccc4sc5c(c(-c6ccc7ccccc7c6)cc6c5c5ccc(-c7ccccc7)cc5n6-c5ccccc5)c4c3)cc2)cc1.c1ccc(-c2ccc3c4c5sc6ccc(-c7ccc8ccccc8c7)cc6c5c(-c5ccc6ccccc6c5)cc4n(-c4ccccc4)c3c2)cc1.c1ccc(-c2ccc3c4c5sc6ccc(-c7cccc8ccccc78)cc6c5c(-c5ccc6ccccc6c5)cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C52H33NS.2C50H31NS.3CH4/c1-4-12-34(13-5-1)37-20-22-38(23-21-37)40-27-29-49-46(31-40)50-45(42-25-24-36-16-10-11-17-39(36)30-42)33-48-51(52(50)54-49)44-28-26-41(35-14-6-2-7-15-35)32-47(44)53(48)43-18-8-3-9-19-43;1-3-11-32(12-4-1)39-23-25-42-45(30-39)51(41-17-5-2-6-18-41)46-31-43(40-22-20-34-14-8-10-16-36(34)28-40)48-44-29-38(24-26-47(44)52-50(48)49(42)46)37-21-19-33-13-7-9-15-35(33)27-37;1-3-12-32(13-4-1)36-24-26-42-45(30-36)51(39-18-5-2-6-19-39)46-31-43(37-23-22-33-14-7-8-16-35(33)28-37)48-44-29-38(25-27-47(44)52-50(48)49(42)46)41-21-11-17-34-15-9-10-20-40(34)41;;;/h1-33H;2*1-31H;3*1H4
InChIKeyUKINXVZSRIGLOP-UHFFFAOYSA-N
MW2107.78 g/mol
LogP45.80
Rot. Bonds13

About 7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole

7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 161116165) has the molecular formula C155H107N3S3 and a molecular weight of 2107.78 g/mol. Its IUPAC name is 7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole
PubChem CID161116165
Molecular FormulaC155H107N3S3
Molecular Weight2107.78 g/mol
Exact Mass2105.76
IUPAC Name7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole
SMILESC.C.C.c1ccc(-c2ccc(-c3ccc4sc5c(c(-c6ccc7ccccc7c6)cc6c5c5ccc(-c7ccccc7)cc5n6-c5ccccc5)c4c3)cc2)cc1.c1ccc(-c2ccc3c4c5sc6ccc(-c7ccc8ccccc8c7)cc6c5c(-c5ccc6ccccc6c5)cc4n(-c4ccccc4)c3c2)cc1.c1ccc(-c2ccc3c4c5sc6ccc(-c7cccc8ccccc78)cc6c5c(-c5ccc6ccccc6c5)cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C52H33NS.2C50H31NS.3CH4/c1-4-12-34(13-5-1)37-20-22-38(23-21-37)40-27-29-49-46(31-40)50-45(42-25-24-36-16-10-11-17-39(36)30-42)33-48-51(52(50)54-49)44-28-26-41(35-14-6-2-7-15-35)32-47(44)53(48)43-18-8-3-9-19-43;1-3-11-32(12-4-1)39-23-25-42-45(30-39)51(41-17-5-2-6-18-41)46-31-43(40-22-20-34-14-8-10-16-36(34)28-40)48-44-29-38(24-26-47(44)52-50(48)49(42)46)37-21-19-33-13-7-9-15-35(33)27-37;1-3-12-32(13-4-1)36-24-26-42-45(30-36)51(39-18-5-2-6-19-39)46-31-43(37-23-22-33-14-7-8-16-35(33)28-37)48-44-29-38(25-27-47(44)52-50(48)49(42)46)41-21-11-17-34-15-9-10-20-40(34)41;;;/h1-33H;2*1-31H;3*1H4
InChIKeyUKINXVZSRIGLOP-UHFFFAOYSA-N
XLogP45.80
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002107.78
LogP ≤ 545.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole with MolForge

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Related Compounds

21-naphthalen-1-yl-5,18-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;21-naphthalen-2-yl-5,18-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;5,18,21-triphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 158198182
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline
CID 166659667
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342
3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 123267685
N-[3-(2-bromophenyl)phenyl]-7-dibenzothiophen-3-yl-N-naphthalen-2-yl-5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-amine
CID 126702272
methane;3-[9-(4-naphthalen-1-yldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-2-yldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 158321384
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-6-naphthalen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 160992916
7-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,9-diphenylcarbazol-2-amine
CID 146573851
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-6-phenylcarbazole
CID 177074708
4-(3-carbazol-9-ylphenyl)-N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 159549899
6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420566

Frequently Asked Questions

What is the IUPAC name of 7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole (CID 161116165) is 7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole is C.C.C.c1ccc(-c2ccc(-c3ccc4sc5c(c(-c6ccc7ccccc7c6)cc6c5c5ccc(-c7ccccc7)cc5n6-c5ccccc5)c4c3)cc2)cc1.c1ccc(-c2ccc3c4c5sc6ccc(-c7ccc8ccccc8c7)cc6c5c(-c5ccc6ccccc6c5)cc4n(-c4ccccc4)c3c2)cc1.c1ccc(-c2ccc3c4c5sc6ccc(-c7cccc8ccccc78)cc6c5c(-c5ccc6ccccc6c5)cc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is UKINXVZSRIGLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS.2C50H31NS.3CH4/c1-4-12-34(13-5-1)37-20-22-38(23-21-37)40-27-29-49-46(31-40)50-45(42-25-24-36-16-10-11-17-39(36)30-42)33-48-51(52(50)54-49)44-28-26-41(35-14-6-2-7-15-35)32-47(44)53(48)43-18-8-3-9-19-43;1-3-11-32(12-4-1)39-23-25-42-45(30-39)51(41-17-5-2-6-18-41)46-31-43(40-22-20-34-14-8-10-16-36(34)28-40)48-44-29-38(24-26-47(44)52-50(48)49(42)46)37-21-19-33-13-7-9-15-35(33)27-37;1-3-12-32(13-4-1)36-24-26-42-45(30-36)51(39-18-5-2-6-19-39)46-31-43(37-23-22-33-14-7-8-16-35(33)28-37)48-44-29-38(25-27-47(44)52-50(48)49(42)46)41-21-11-17-34-15-9-10-20-40(34)41;;;/h1-33H;2*1-31H;3*1H4.
What are the key properties of 7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole?
7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 2107.78 g/mol, XLogP of 45.80, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dinaphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole;methane;7-naphthalen-2-yl-3,5-diphenyl-9-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-naphthalen-1-yl-7-naphthalen-2-yl-3,5-diphenyl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 161116165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).