7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole

C55H35N5 — CID 149169033

IUPAC7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cccc5c4)n3)c2)cc1
InChIInChI=1S/C55H35N5/c1-4-16-36(17-5-1)38-20-14-22-40(32-38)54-56-53(37-18-6-2-7-19-37)57-55(58-54)41-30-31-43-39(33-41)21-15-29-48(43)60-50-28-13-11-26-45(50)47-34-46-44-25-10-12-27-49(44)59(51(46)35-52(47)60)42-23-8-3-9-24-42/h1-35H
InChIKeyWYRMSYMIPRYCMC-UHFFFAOYSA-N
MW765.92 g/mol
LogP13.89
Rot. Bonds6

About 7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole

7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole (PubChem CID 149169033) has the molecular formula C55H35N5 and a molecular weight of 765.92 g/mol. Its IUPAC name is 7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole
PubChem CID149169033
Molecular FormulaC55H35N5
Molecular Weight765.92 g/mol
Exact Mass765.29
IUPAC Name7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cccc5c4)n3)c2)cc1
InChIInChI=1S/C55H35N5/c1-4-16-36(17-5-1)38-20-14-22-40(32-38)54-56-53(37-18-6-2-7-19-37)57-55(58-54)41-30-31-43-39(33-41)21-15-29-48(43)60-50-28-13-11-26-45(50)47-34-46-44-25-10-12-27-49(44)59(51(46)35-52(47)60)42-23-8-3-9-24-42/h1-35H
InChIKeyWYRMSYMIPRYCMC-UHFFFAOYSA-N
XLogP13.89
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 156531320
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 118508799
7-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 164800029
16-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 138654328
9-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 166915433
9-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-naphthalen-2-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-(3-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158981335
7-(4-phenylphenyl)-5-[4-phenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 156556458
5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 126580236
9-naphthalen-1-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087212
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
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7-diphenylindolo[2,3-b]carbazole
CID 158910777
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,5-diphenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
CID 164953244

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole?
The IUPAC name of 7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole (CID 149169033) is 7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cccc5c4)n3)c2)cc1.
What is the InChIKey of 7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole?
The InChIKey is WYRMSYMIPRYCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5/c1-4-16-36(17-5-1)38-20-14-22-40(32-38)54-56-53(37-18-6-2-7-19-37)57-55(58-54)41-30-31-43-39(33-41)21-15-29-48(43)60-50-28-13-11-26-45(50)47-34-46-44-25-10-12-27-49(44)59(51(46)35-52(47)60)42-23-8-3-9-24-42/h1-35H.
What are the key properties of 7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole?
7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole has a molecular weight of 765.92 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole is sourced from PubChem (CID 149169033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).