9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole

C43H29NOS — CID 70906826

IUPAC9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole
SMILESCc1cc(-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)ccc1Oc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C43H29NOS/c1-28-25-30(32-17-24-43-38(27-32)37-26-31(16-23-42(37)46-43)29-9-3-2-4-10-29)15-22-41(28)45-34-20-18-33(19-21-34)44-39-13-7-5-11-35(39)36-12-6-8-14-40(36)44/h2-27H,1H3
InChIKeyQLGNUDZHEDWLOO-UHFFFAOYSA-N
MW607.78 g/mol
LogP12.59
Rot. Bonds5

About 9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole

9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole (PubChem CID 70906826) has the molecular formula C43H29NOS and a molecular weight of 607.78 g/mol. Its IUPAC name is 9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole
PubChem CID70906826
Molecular FormulaC43H29NOS
Molecular Weight607.78 g/mol
Exact Mass607.20
IUPAC Name9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole
SMILESCc1cc(-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)ccc1Oc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C43H29NOS/c1-28-25-30(32-17-24-43-38(27-32)37-26-31(16-23-42(37)46-43)29-9-3-2-4-10-29)15-22-41(28)45-34-20-18-33(19-21-34)44-39-13-7-5-11-35(39)36-12-6-8-14-40(36)44/h2-27H,1H3
InChIKeyQLGNUDZHEDWLOO-UHFFFAOYSA-N
XLogP12.59
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.78
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole?
The IUPAC name of 9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole (CID 70906826) is 9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole is Cc1cc(-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)ccc1Oc1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole?
The InChIKey is QLGNUDZHEDWLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NOS/c1-28-25-30(32-17-24-43-38(27-32)37-26-31(16-23-42(37)46-43)29-9-3-2-4-10-29)15-22-41(28)45-34-20-18-33(19-21-34)44-39-13-7-5-11-35(39)36-12-6-8-14-40(36)44/h2-27H,1H3.
What are the key properties of 9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole?
9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole has a molecular weight of 607.78 g/mol, XLogP of 12.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-methyl-4-(8-phenyldibenzothiophen-2-yl)phenoxy]phenyl]carbazole is sourced from PubChem (CID 70906826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).