12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole

C49H31N5 — CID 142314945

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6ccccc6c5)cc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C49H31N5/c1-4-17-33(18-5-1)47-50-48(34-19-6-2-7-20-34)52-49(51-47)54-42-27-15-12-24-38(42)44-40(36-29-28-32-16-10-11-21-35(32)30-36)31-43-45(46(44)54)39-25-13-14-26-41(39)53(43)37-22-8-3-9-23-37/h1-31H
InChIKeyUVFVYWHSJOVXMZ-UHFFFAOYSA-N
MW689.82 g/mol
LogP12.22
Rot. Bonds5

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole (PubChem CID 142314945) has the molecular formula C49H31N5 and a molecular weight of 689.82 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole
PubChem CID142314945
Molecular FormulaC49H31N5
Molecular Weight689.82 g/mol
Exact Mass689.26
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6ccccc6c5)cc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C49H31N5/c1-4-17-33(18-5-1)47-50-48(34-19-6-2-7-20-34)52-49(51-47)54-42-27-15-12-24-38(42)44-40(36-29-28-32-16-10-11-21-35(32)30-36)31-43-45(46(44)54)39-25-13-14-26-41(39)53(43)37-22-8-3-9-23-37/h1-31H
InChIKeyUVFVYWHSJOVXMZ-UHFFFAOYSA-N
XLogP12.22
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.82
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole
CID 126628134
12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole
CID 164799980
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene
CID 142315095
3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 157430170
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170255512
11-[4-naphthalen-2-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-5-[7-[4-naphthalen-2-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12-phenylindolo[2,3-a]carbazole
CID 166947040
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole
CID 138649778
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 58142333
5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 130417457
12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 59365869
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,21-diphenyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 58142309
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170255379

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole (CID 142314945) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6ccccc6c5)cc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole?
The InChIKey is UVFVYWHSJOVXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5/c1-4-17-33(18-5-1)47-50-48(34-19-6-2-7-20-34)52-49(51-47)54-42-27-15-12-24-38(42)44-40(36-29-28-32-16-10-11-21-35(32)30-36)31-43-45(46(44)54)39-25-13-14-26-41(39)53(43)37-22-8-3-9-23-37/h1-31H.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole has a molecular weight of 689.82 g/mol, XLogP of 12.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole is sourced from PubChem (CID 142314945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).