2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

C54H37N5 — CID 130231638

IUPAC2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6c5[nH]c5ccccc56)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C54H37N5/c1-54(2)44-24-14-12-22-38(44)41-31-43-42-30-35(26-29-47(42)59(48(43)32-45(41)54)36-20-10-5-11-21-36)37-27-28-40(49-39-23-13-15-25-46(39)55-50(37)49)53-57-51(33-16-6-3-7-17-33)56-52(58-53)34-18-8-4-9-19-34/h3-32,55H,1-2H3
InChIKeyWRFMJKADVLMGKM-UHFFFAOYSA-N
MW755.93 g/mol
LogP13.58
Rot. Bonds5

About 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (PubChem CID 130231638) has the molecular formula C54H37N5 and a molecular weight of 755.93 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
PubChem CID130231638
Molecular FormulaC54H37N5
Molecular Weight755.93 g/mol
Exact Mass755.30
IUPAC Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6c5[nH]c5ccccc56)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C54H37N5/c1-54(2)44-24-14-12-22-38(44)41-31-43-42-30-35(26-29-47(42)59(48(43)32-45(41)54)36-20-10-5-11-21-36)37-27-28-40(49-39-23-13-15-25-46(39)55-50(37)49)53-57-51(33-16-6-3-7-17-33)56-52(58-53)34-18-8-4-9-19-34/h3-32,55H,1-2H3
InChIKeyWRFMJKADVLMGKM-UHFFFAOYSA-N
XLogP13.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.93
LogP ≤ 513.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335732
7,7-dimethyl-5-phenyl-2-[4-phenyl-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 90059506
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 66797829
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 154618837
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 145327538
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
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
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (CID 130231638) is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.
What is the SMILES notation for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The canonical SMILES for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6c5[nH]c5ccccc56)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The InChIKey is WRFMJKADVLMGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N5/c1-54(2)44-24-14-12-22-38(44)41-31-43-42-30-35(26-29-47(42)59(48(43)32-45(41)54)36-20-10-5-11-21-36)37-27-28-40(49-39-23-13-15-25-46(39)55-50(37)49)53-57-51(33-16-6-3-7-17-33)56-52(58-53)34-18-8-4-9-19-34/h3-32,55H,1-2H3.
What are the key properties of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole has a molecular weight of 755.93 g/mol, XLogP of 13.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 130231638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).