3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole

C48H30N2S — CID 174371073

IUPAC3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole
SMILESc1ccc(-c2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)ccc3sc4ccccc4c23)cc1
InChIInChI=1S/C48H30N2S/c1-3-13-31(14-4-1)47-44(27-28-46-48(47)37-19-9-12-22-45(37)51-46)50-41-21-11-8-18-36(41)39-30-33(24-26-43(39)50)32-23-25-42-38(29-32)35-17-7-10-20-40(35)49(42)34-15-5-2-6-16-34/h1-30H
InChIKeyREAONZKCQCEBFA-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.58
Rot. Bonds4

About 3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole

3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole (PubChem CID 174371073) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole
PubChem CID174371073
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole
SMILESc1ccc(-c2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)ccc3sc4ccccc4c23)cc1
InChIInChI=1S/C48H30N2S/c1-3-13-31(14-4-1)47-44(27-28-46-48(47)37-19-9-12-22-45(37)51-46)50-41-21-11-8-18-36(41)39-30-33(24-26-43(39)50)32-23-25-42-38(29-32)35-17-7-10-20-40(35)49(42)34-15-5-2-6-16-34/h1-30H
InChIKeyREAONZKCQCEBFA-UHFFFAOYSA-N
XLogP13.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole
CID 176854301
3-(18-carbazol-9-yl-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-6,9-diphenylcarbazole
CID 59147343
14-phenyl-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 122593601
14-[4-[4-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167193582
14-phenyl-18-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 122593675
3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole
CID 147051964
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole
CID 167631202
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 118507992

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole (CID 174371073) is 3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole is c1ccc(-c2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)ccc3sc4ccccc4c23)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole?
The InChIKey is REAONZKCQCEBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-3-13-31(14-4-1)47-44(27-28-46-48(47)37-19-9-12-22-45(37)51-46)50-41-21-11-8-18-36(41)39-30-33(24-26-43(39)50)32-23-25-42-38(29-32)35-17-7-10-20-40(35)49(42)34-15-5-2-6-16-34/h1-30H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole?
3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole has a molecular weight of 666.85 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole is sourced from PubChem (CID 174371073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).