5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole

C50H34N4 — CID 166563534

IUPAC5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)c3cc21
InChIInChI=1S/C50H34N4/c1-50(2)43-17-9-7-15-39(43)41-29-42-40-16-8-10-18-45(40)54(46(42)30-44(41)50)38-25-23-33(24-26-38)47-51-48(36-21-19-31-11-3-5-13-34(31)27-36)53-49(52-47)37-22-20-32-12-4-6-14-35(32)28-37/h3-30H,1-2H3
InChIKeyAPARDKUWNQAEKQ-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.58
Rot. Bonds4

About 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole

5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 166563534) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID166563534
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)c3cc21
InChIInChI=1S/C50H34N4/c1-50(2)43-17-9-7-15-39(43)41-29-42-40-16-8-10-18-45(40)54(46(42)30-44(41)50)38-25-23-33(24-26-38)47-51-48(36-21-19-31-11-3-5-13-34(31)27-36)53-49(52-47)37-22-20-32-12-4-6-14-35(32)28-37/h3-30H,1-2H3
InChIKeyAPARDKUWNQAEKQ-UHFFFAOYSA-N
XLogP12.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11,11-dimethyl-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indeno[1,2-b]carbazole
CID 164803024
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
7,7-dimethyl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 139342086
15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492385
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 157062931
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4-[2,6-bis[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159514496
15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459494
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
15-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459489

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole (CID 166563534) is 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)c3cc21.
What is the InChIKey of 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is APARDKUWNQAEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-50(2)43-17-9-7-15-39(43)41-29-42-40-16-8-10-18-45(40)54(46(42)30-44(41)50)38-25-23-33(24-26-38)47-51-48(36-21-19-31-11-3-5-13-34(31)27-36)53-49(52-47)37-22-20-32-12-4-6-14-35(32)28-37/h3-30H,1-2H3.
What are the key properties of 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 690.85 g/mol, XLogP of 12.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 166563534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).