10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine

C50H34N4S — CID 134432072

IUPAC10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine
SMILESC1=CC2=C(CC1)N(c1ccccc1)c1ccc(-c3cccc4c5c6ccccc6ccc5n(-c5cccc(-c6cc(-c7ccccc7)ncn6)c5)c34)cc1S2
InChIInChI=1S/C50H34N4S/c1-3-14-34(15-4-1)42-31-43(52-32-51-42)36-16-11-19-38(29-36)54-46-28-25-33-13-7-8-20-39(33)49(46)41-22-12-21-40(50(41)54)35-26-27-45-48(30-35)55-47-24-10-9-23-44(47)53(45)37-17-5-2-6-18-37/h1-8,10-22,24-32H,9,23H2
InChIKeyMAKBNZDEPBIAKE-UHFFFAOYSA-N
MW722.92 g/mol
LogP13.53
Rot. Bonds5

About 10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine

10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine (PubChem CID 134432072) has the molecular formula C50H34N4S and a molecular weight of 722.92 g/mol. Its IUPAC name is 10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine.

Molecular Properties

Compound Name10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine
PubChem CID134432072
Molecular FormulaC50H34N4S
Molecular Weight722.92 g/mol
Exact Mass722.25
IUPAC Name10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine
SMILESC1=CC2=C(CC1)N(c1ccccc1)c1ccc(-c3cccc4c5c6ccccc6ccc5n(-c5cccc(-c6cc(-c7ccccc7)ncn6)c5)c34)cc1S2
InChIInChI=1S/C50H34N4S/c1-3-14-34(15-4-1)42-31-43(52-32-51-42)36-16-11-19-38(29-36)54-46-28-25-33-13-7-8-20-39(33)49(46)41-22-12-21-40(50(41)54)35-26-27-45-48(30-35)55-47-24-10-9-23-44(47)53(45)37-17-5-2-6-18-37/h1-8,10-22,24-32H,9,23H2
InChIKeyMAKBNZDEPBIAKE-UHFFFAOYSA-N
XLogP13.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.92
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenothiazine
CID 134431820
10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine
CID 134431562
10-phenyl-3-[3-[7-(4-phenylquinazolin-2-yl)benzo[g]carbazol-8-yl]phenyl]phenothiazine
CID 134432147
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-8-yl]phenothiazine
CID 134432136
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 134431503
10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine
CID 163524546
10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine
CID 134432144
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 134431501
12-[5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163717602
10-phenyl-3-[3-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 134431497
10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine
CID 134430890
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine
CID 134431717

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine?
The IUPAC name of 10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine (CID 134432072) is 10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine.
What is the SMILES notation for 10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine?
The canonical SMILES for 10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine is C1=CC2=C(CC1)N(c1ccccc1)c1ccc(-c3cccc4c5c6ccccc6ccc5n(-c5cccc(-c6cc(-c7ccccc7)ncn6)c5)c34)cc1S2.
What is the InChIKey of 10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine?
The InChIKey is MAKBNZDEPBIAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4S/c1-3-14-34(15-4-1)42-31-43(52-32-51-42)36-16-11-19-38(29-36)54-46-28-25-33-13-7-8-20-39(33)49(46)41-22-12-21-40(50(41)54)35-26-27-45-48(30-35)55-47-24-10-9-23-44(47)53(45)37-17-5-2-6-18-37/h1-8,10-22,24-32H,9,23H2.
What are the key properties of 10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine?
10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine has a molecular weight of 722.92 g/mol, XLogP of 13.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine is sourced from PubChem (CID 134432072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).