7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole

C55H36N4 — CID 134598134

IUPAC7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole
SMILESCc1cc2c(c3ccccc3n2-c2ccccc2)c2c1c1cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)ccc1n2-c1ccccc1
InChIInChI=1S/C55H36N4/c1-35-33-50-53(43-25-13-15-27-46(43)56(50)36-17-5-2-6-18-36)55-51(35)44-34-39(29-31-48(44)59(55)38-21-9-4-10-22-38)57-47-28-16-12-24-42(47)52-49(57)32-30-41-40-23-11-14-26-45(40)58(54(41)52)37-19-7-3-8-20-37/h2-34H,1H3
InChIKeyWRTKVVZNBBRKNF-UHFFFAOYSA-N
MW752.92 g/mol
LogP14.38
Rot. Bonds4

About 7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole

7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole (PubChem CID 134598134) has the molecular formula C55H36N4 and a molecular weight of 752.92 g/mol. Its IUPAC name is 7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole.

Molecular Properties

Compound Name7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole
PubChem CID134598134
Molecular FormulaC55H36N4
Molecular Weight752.92 g/mol
Exact Mass752.29
IUPAC Name7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole
SMILESCc1cc2c(c3ccccc3n2-c2ccccc2)c2c1c1cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)ccc1n2-c1ccccc1
InChIInChI=1S/C55H36N4/c1-35-33-50-53(43-25-13-15-27-46(43)56(50)36-17-5-2-6-18-36)55-51(35)44-34-39(29-31-48(44)59(55)38-21-9-4-10-22-38)57-47-28-16-12-24-42(47)52-49(57)32-30-41-40-23-11-14-26-45(40)58(54(41)52)37-19-7-3-8-20-37/h2-34H,1H3
InChIKeyWRTKVVZNBBRKNF-UHFFFAOYSA-N
XLogP14.38
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole
CID 134598132
9-[10-(2,6-diphenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazol-5-yl]-7-methyl-5,12-diphenylindolo[3,2-a]carbazole
CID 134598145
9-[9-(2,6-diphenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazol-5-yl]-7-methyl-5,12-diphenylindolo[3,2-a]carbazole
CID 134598141
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489622
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146227213
5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole?
The IUPAC name of 7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole (CID 134598134) is 7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole.
What is the SMILES notation for 7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole?
The canonical SMILES for 7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole is Cc1cc2c(c3ccccc3n2-c2ccccc2)c2c1c1cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)ccc1n2-c1ccccc1.
What is the InChIKey of 7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole?
The InChIKey is WRTKVVZNBBRKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4/c1-35-33-50-53(43-25-13-15-27-46(43)56(50)36-17-5-2-6-18-36)55-51(35)44-34-39(29-31-48(44)59(55)38-21-9-4-10-22-38)57-47-28-16-12-24-42(47)52-49(57)32-30-41-40-23-11-14-26-45(40)58(54(41)52)37-19-7-3-8-20-37/h2-34H,1H3.
What are the key properties of 7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole?
7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole has a molecular weight of 752.92 g/mol, XLogP of 14.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole is sourced from PubChem (CID 134598134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).