12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole

C62H41N5 — CID 170148217

IUPAC12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole
SMILESCc1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3cccc4ccccc34)c21
InChIInChI=1S/C62H41N5/c1-40-39-48(62-64-60(46-31-27-43(28-32-46)41-15-4-2-5-16-41)63-61(65-62)47-33-29-44(30-34-47)42-17-6-3-7-18-42)35-37-53(40)67-55-24-12-10-22-50(55)51-36-38-57-58(59(51)67)52-23-11-13-25-56(52)66(57)54-26-14-20-45-19-8-9-21-49(45)54/h2-39H,1H3
InChIKeyDEQRQXKERWGDBS-UHFFFAOYSA-N
MW856.04 g/mol
LogP15.86
Rot. Bonds7

About 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole

12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole (PubChem CID 170148217) has the molecular formula C62H41N5 and a molecular weight of 856.04 g/mol. Its IUPAC name is 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole
PubChem CID170148217
Molecular FormulaC62H41N5
Molecular Weight856.04 g/mol
Exact Mass855.34
IUPAC Name12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole
SMILESCc1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3cccc4ccccc34)c21
InChIInChI=1S/C62H41N5/c1-40-39-48(62-64-60(46-31-27-43(28-32-46)41-15-4-2-5-16-41)63-61(65-62)47-33-29-44(30-34-47)42-17-6-3-7-18-42)35-37-53(40)67-55-24-12-10-22-50(55)51-36-38-57-58(59(51)67)52-23-11-13-25-56(52)66(57)54-26-14-20-45-19-8-9-21-49(45)54/h2-39H,1H3
InChIKeyDEQRQXKERWGDBS-UHFFFAOYSA-N
XLogP15.86
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.04
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-naphthalen-1-yl-12-(6-phenylnaphthalen-1-yl)indolo[3,2-c]carbazole
CID 142482126
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597913
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole
CID 164781358
9-naphthalen-1-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087212
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156531291
4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline
CID 139303974
5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole
CID 155631323
16-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 138654034
12-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]indolo[3,2-c]carbazole;12-phenyl-5-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole
CID 161348228
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 170268493
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole
CID 130352928
5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 134168763

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole?
The IUPAC name of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole (CID 170148217) is 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole is Cc1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3cccc4ccccc34)c21.
What is the InChIKey of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole?
The InChIKey is DEQRQXKERWGDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N5/c1-40-39-48(62-64-60(46-31-27-43(28-32-46)41-15-4-2-5-16-41)63-61(65-62)47-33-29-44(30-34-47)42-17-6-3-7-18-42)35-37-53(40)67-55-24-12-10-22-50(55)51-36-38-57-58(59(51)67)52-23-11-13-25-56(52)66(57)54-26-14-20-45-19-8-9-21-49(45)54/h2-39H,1H3.
What are the key properties of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole?
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole has a molecular weight of 856.04 g/mol, XLogP of 15.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole is sourced from PubChem (CID 170148217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).