9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine

C54H39N5 — CID 146510998

IUPAC9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine
SMILESCc1cc(N2c3ccccc3C(c3ccccc3)(c3cccc4c3[nH]c3ccccc34)c3ccccc32)c(C)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C54H39N5/c1-35-34-49(36(2)33-42(35)53-57-51(37-19-6-3-7-20-37)56-52(58-53)38-21-8-4-9-22-38)59-47-31-16-13-27-43(47)54(39-23-10-5-11-24-39,44-28-14-17-32-48(44)59)45-29-18-26-41-40-25-12-15-30-46(40)55-50(41)45/h3-34,55H,1-2H3
InChIKeyHFGVRALVFPQKAK-UHFFFAOYSA-N
MW757.94 g/mol
LogP13.29
Rot. Bonds6

About 9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine

9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine (PubChem CID 146510998) has the molecular formula C54H39N5 and a molecular weight of 757.94 g/mol. Its IUPAC name is 9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine.

Molecular Properties

Compound Name9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine
PubChem CID146510998
Molecular FormulaC54H39N5
Molecular Weight757.94 g/mol
Exact Mass757.32
IUPAC Name9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine
SMILESCc1cc(N2c3ccccc3C(c3ccccc3)(c3cccc4c3[nH]c3ccccc34)c3ccccc32)c(C)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C54H39N5/c1-35-34-49(36(2)33-42(35)53-57-51(37-19-6-3-7-20-37)56-52(58-53)38-21-8-4-9-22-38)59-47-31-16-13-27-43(47)54(39-23-10-5-11-24-39,44-28-14-17-32-48(44)59)45-29-18-26-41-40-25-12-15-30-46(40)55-50(41)45/h3-34,55H,1-2H3
InChIKeyHFGVRALVFPQKAK-UHFFFAOYSA-N
XLogP13.29
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.94
LogP ≤ 513.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 160979766
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine
CID 161068023
9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine
CID 146513299
9-carbazol-9-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,6-trimethylphenyl]-9-phenylacridine
CID 146511808
9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine
CID 146513880
9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine
CID 146510967
1-[3-(9-phenylfluoren-9-yl)phenyl]-9H-carbazole
CID 154322481
1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
CID 163586417
9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 166968520
4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495788
CID 174017519
CID 174017519
2-(9,9-diphenylfluoren-2-yl)-4-phenanthren-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 122416383

Frequently Asked Questions

What is the IUPAC name of 9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine?
The IUPAC name of 9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine (CID 146510998) is 9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine.
What is the SMILES notation for 9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine?
The canonical SMILES for 9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine is Cc1cc(N2c3ccccc3C(c3ccccc3)(c3cccc4c3[nH]c3ccccc34)c3ccccc32)c(C)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine?
The InChIKey is HFGVRALVFPQKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N5/c1-35-34-49(36(2)33-42(35)53-57-51(37-19-6-3-7-20-37)56-52(58-53)38-21-8-4-9-22-38)59-47-31-16-13-27-43(47)54(39-23-10-5-11-24-39,44-28-14-17-32-48(44)59)45-29-18-26-41-40-25-12-15-30-46(40)55-50(41)45/h3-34,55H,1-2H3.
What are the key properties of 9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine?
9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine has a molecular weight of 757.94 g/mol, XLogP of 13.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9H-carbazol-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenylacridine is sourced from PubChem (CID 146510998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).