10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine

C64H47N3 — CID 59470098

IUPAC10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine
SMILESCCn1c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2c2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)ccc21
InChIInChI=1S/C64H47N3/c1-2-65-57-41-39-49(66-59-35-19-15-31-53(59)63(45-23-7-3-8-24-45,46-25-9-4-10-26-46)54-32-16-20-36-60(54)66)43-51(57)52-44-50(40-42-58(52)65)67-61-37-21-17-33-55(61)64(47-27-11-5-12-28-47,48-29-13-6-14-30-48)56-34-18-22-38-62(56)67/h3-44H,2H2,1H3
InChIKeyLFRQCXFQHIDGMG-UHFFFAOYSA-N
MW858.10 g/mol
LogP16.15
Rot. Bonds7

About 10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine

10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine (PubChem CID 59470098) has the molecular formula C64H47N3 and a molecular weight of 858.10 g/mol. Its IUPAC name is 10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine.

Molecular Properties

Compound Name10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine
PubChem CID59470098
Molecular FormulaC64H47N3
Molecular Weight858.10 g/mol
Exact Mass857.38
IUPAC Name10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine
SMILESCCn1c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2c2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)ccc21
InChIInChI=1S/C64H47N3/c1-2-65-57-41-39-49(66-59-35-19-15-31-53(59)63(45-23-7-3-8-24-45,46-25-9-4-10-26-46)54-32-16-20-36-60(54)66)43-51(57)52-44-50(40-42-58(52)65)67-61-37-21-17-33-55(61)64(47-27-11-5-12-28-47,48-29-13-6-14-30-48)56-34-18-22-38-62(56)67/h3-44H,2H2,1H3
InChIKeyLFRQCXFQHIDGMG-UHFFFAOYSA-N
XLogP16.15
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.10
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine
CID 71017120
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide
CID 142740719
4-(9,9-diphenylacridin-10-yl)benzonitrile
CID 59470082
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
9-[4-(2,2-dimethylpropyl)phenyl]-9,10-diphenylacridine
CID 134578132
3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane
CID 158577516
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-3-yl)acridine
CID 153463090

Frequently Asked Questions

What is the IUPAC name of 10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine?
The IUPAC name of 10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine (CID 59470098) is 10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine.
What is the SMILES notation for 10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine?
The canonical SMILES for 10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine is CCn1c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2c2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)ccc21.
What is the InChIKey of 10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine?
The InChIKey is LFRQCXFQHIDGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N3/c1-2-65-57-41-39-49(66-59-35-19-15-31-53(59)63(45-23-7-3-8-24-45,46-25-9-4-10-26-46)54-32-16-20-36-60(54)66)43-51(57)52-44-50(40-42-58(52)65)67-61-37-21-17-33-55(61)64(47-27-11-5-12-28-47,48-29-13-6-14-30-48)56-34-18-22-38-62(56)67/h3-44H,2H2,1H3.
What are the key properties of 10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine?
10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine has a molecular weight of 858.10 g/mol, XLogP of 16.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine is sourced from PubChem (CID 59470098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).