5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole

C30H20N2S — CID 158656541

IUPAC5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole
SMILESc1ccc2c(c1)sc1ccc(Cc3ccc(-n4c5ccccc5c5cnccc54)cc3)cc12
InChIInChI=1S/C30H20N2S/c1-3-7-27-23(5-1)26-19-31-16-15-28(26)32(27)22-12-9-20(10-13-22)17-21-11-14-30-25(18-21)24-6-2-4-8-29(24)33-30/h1-16,18-19H,17H2
InChIKeySYCMMGCVWBKQSG-UHFFFAOYSA-N
MW440.57 g/mol
LogP8.14
Rot. Bonds3

About 5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole

5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole (PubChem CID 158656541) has the molecular formula C30H20N2S and a molecular weight of 440.57 g/mol. Its IUPAC name is 5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole
PubChem CID158656541
Molecular FormulaC30H20N2S
Molecular Weight440.57 g/mol
Exact Mass440.13
IUPAC Name5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole
SMILESc1ccc2c(c1)sc1ccc(Cc3ccc(-n4c5ccccc5c5cnccc54)cc3)cc12
InChIInChI=1S/C30H20N2S/c1-3-7-27-23(5-1)26-19-31-16-15-28(26)32(27)22-12-9-20(10-13-22)17-21-11-14-30-25(18-21)24-6-2-4-8-29(24)33-30/h1-16,18-19H,17H2
InChIKeySYCMMGCVWBKQSG-UHFFFAOYSA-N
XLogP8.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344139
5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole
CID 59344150
8-[4-[[4-[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344142
8-[4-[[4-(4-benzylphenyl)phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;propane
CID 143216209
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole
CID 143291588
dibenzothiophene;9-phenylcarbazole
CID 142415981
9-(3-dibenzothiophen-2-ylphenyl)-6-phenylindolo[3,2-b]quinoxaline;9-(4-dibenzothiophen-2-ylphenyl)-6-phenylindolo[3,2-b]quinoxaline;6-phenyl-9-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-b]quinoxaline;6-phenyl-9-[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]indolo[3,2-b]quinoxaline
CID 157223495
N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine
CID 126621948
(Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine
CID 163966873
5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole
CID 143035806

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole (CID 158656541) is 5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole is c1ccc2c(c1)sc1ccc(Cc3ccc(-n4c5ccccc5c5cnccc54)cc3)cc12.
What is the InChIKey of 5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole?
The InChIKey is SYCMMGCVWBKQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2S/c1-3-7-27-23(5-1)26-19-31-16-15-28(26)32(27)22-12-9-20(10-13-22)17-21-11-14-30-25(18-21)24-6-2-4-8-29(24)33-30/h1-16,18-19H,17H2.
What are the key properties of 5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole?
5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole has a molecular weight of 440.57 g/mol, XLogP of 8.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 158656541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).