2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane]

C65H49N5 — CID 166017926

IUPAC2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane]
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)c3)nc(-c3ccc4c(c3)C3(c5ccccc5N4c4ccccc4)C4CC5CC(C4)CC3C5)n2)cc1
InChIInChI=1S/C65H49N5/c1-3-15-45(16-4-1)62-66-63(47-18-13-17-46(39-47)43-26-30-52(31-27-43)69-57-24-11-9-22-54(57)61-53-21-8-7-14-44(53)28-33-60(61)69)68-64(67-62)48-29-32-59-56(40-48)65(49-35-41-34-42(37-49)38-50(65)36-41)55-23-10-12-25-58(55)70(59)51-19-5-2-6-20-51/h1-33,39-42,49-50H,34-38H2
InChIKeyZWDLBFLDTWQFIO-UHFFFAOYSA-N
MW900.14 g/mol
LogP16.32
Rot. Bonds6

About 2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane]

2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane] (PubChem CID 166017926) has the molecular formula C65H49N5 and a molecular weight of 900.14 g/mol. Its IUPAC name is 2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane].

Molecular Properties

Compound Name2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane]
PubChem CID166017926
Molecular FormulaC65H49N5
Molecular Weight900.14 g/mol
Exact Mass899.40
IUPAC Name2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane]
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)c3)nc(-c3ccc4c(c3)C3(c5ccccc5N4c4ccccc4)C4CC5CC(C4)CC3C5)n2)cc1
InChIInChI=1S/C65H49N5/c1-3-15-45(16-4-1)62-66-63(47-18-13-17-46(39-47)43-26-30-52(31-27-43)69-57-24-11-9-22-54(57)61-53-21-8-7-14-44(53)28-33-60(61)69)68-64(67-62)48-29-32-59-56(40-48)65(49-35-41-34-42(37-49)38-50(65)36-41)55-23-10-12-25-58(55)70(59)51-19-5-2-6-20-51/h1-33,39-42,49-50H,34-38H2
InChIKeyZWDLBFLDTWQFIO-UHFFFAOYSA-N
XLogP16.32
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.14
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane] with MolForge

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Related Compounds

10-phenyl-2-[4-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[acridine-9,2'-adamantane]
CID 166018119
2-[3-[4-(4-fluoranthen-8-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,2'-adamantane]
CID 166017922
9-[4-[4-phenyl-6-[4-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 166018010
7-[4-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166916612
9-[4-[4-phenyl-6-[4-(3-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 166017806
10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]
CID 166017943
9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole
CID 167353778
9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 134431940
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-9-phenylcarbazole
CID 147889742
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 130351139
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-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 139496806
7-[3-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166915910

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane]?
The IUPAC name of 2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane] (CID 166017926) is 2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane].
What is the SMILES notation for 2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane]?
The canonical SMILES for 2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane] is c1ccc(-c2nc(-c3cccc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)c3)nc(-c3ccc4c(c3)C3(c5ccccc5N4c4ccccc4)C4CC5CC(C4)CC3C5)n2)cc1.
What is the InChIKey of 2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane]?
The InChIKey is ZWDLBFLDTWQFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H49N5/c1-3-15-45(16-4-1)62-66-63(47-18-13-17-46(39-47)43-26-30-52(31-27-43)69-57-24-11-9-22-54(57)61-53-21-8-7-14-44(53)28-33-60(61)69)68-64(67-62)48-29-32-59-56(40-48)65(49-35-41-34-42(37-49)38-50(65)36-41)55-23-10-12-25-58(55)70(59)51-19-5-2-6-20-51/h1-33,39-42,49-50H,34-38H2.
What are the key properties of 2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane]?
2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane] has a molecular weight of 900.14 g/mol, XLogP of 16.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane] is sourced from PubChem (CID 166017926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).