5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole

C52H32N2OS — CID 163504779

IUPAC5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole
SMILESCc1c(-c2cccc3oc4c(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cccc4c23)nc2ccccc2c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C52H32N2OS/c1-31-47(34-27-25-33(26-28-34)32-13-3-2-4-14-32)37-16-5-8-20-41(37)53-50(31)39-18-12-23-45-48(39)40-19-11-22-44(51(40)55-45)54-42-21-9-6-17-38(42)49-43(54)30-29-36-35-15-7-10-24-46(35)56-52(36)49/h2-30H,1H3
InChIKeyCXRDRVBBYQLCTA-UHFFFAOYSA-N
MW732.91 g/mol
LogP14.91
Rot. Bonds4

About 5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole

5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 163504779) has the molecular formula C52H32N2OS and a molecular weight of 732.91 g/mol. Its IUPAC name is 5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID163504779
Molecular FormulaC52H32N2OS
Molecular Weight732.91 g/mol
Exact Mass732.22
IUPAC Name5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole
SMILESCc1c(-c2cccc3oc4c(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cccc4c23)nc2ccccc2c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C52H32N2OS/c1-31-47(34-27-25-33(26-28-34)32-13-3-2-4-14-32)37-16-5-8-20-41(37)53-50(31)39-18-12-23-45-48(39)40-19-11-22-44(51(40)55-45)54-42-21-9-6-17-38(42)49-43(54)30-29-36-35-15-7-10-24-46(35)56-52(36)49/h2-30H,1H3
InChIKeyCXRDRVBBYQLCTA-UHFFFAOYSA-N
XLogP14.91
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole
CID 146259022
12-[9-(4-phenylphenyl)dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole
CID 170688634
2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 146491011
9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole
CID 163656757
5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole
CID 155158734
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154029
9-dibenzofuran-4-yl-3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;3-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9-phenylcarbazole;9-[4-[3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenyl]carbazole
CID 165067724
6-dibenzofuran-4-yl-2,3-diphenylfuro[3,2-c]carbazole;6-dibenzothiophen-4-yl-2,3-diphenylfuro[3,2-c]carbazole;2,6-diphenyl-[1,3]oxazolo[4,5-c]carbazole
CID 162037448
4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole
CID 146337804
5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 158212770
2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 146491393
14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 146334317

Frequently Asked Questions

What is the IUPAC name of 5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole (CID 163504779) is 5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole is Cc1c(-c2cccc3oc4c(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cccc4c23)nc2ccccc2c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is CXRDRVBBYQLCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2OS/c1-31-47(34-27-25-33(26-28-34)32-13-3-2-4-14-32)37-16-5-8-20-41(37)53-50(31)39-18-12-23-45-48(39)40-19-11-22-44(51(40)55-45)54-42-21-9-6-17-38(42)49-43(54)30-29-36-35-15-7-10-24-46(35)56-52(36)49/h2-30H,1H3.
What are the key properties of 5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole?
5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 732.91 g/mol, XLogP of 14.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 163504779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).