10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine

C62H44N2 — CID 70936023

IUPAC10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c4c(cccc24)-c2ccccc2-3)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccc4c5c(cccc35)-c3ccccc3-4)cc21
InChIInChI=1S/C62H44N2/c1-61(2)49-23-9-11-25-55(49)63(53-33-29-45-41-17-7-5-15-39(41)43-19-13-21-47(53)59(43)45)57-31-27-37(35-51(57)61)38-28-32-58-52(36-38)62(3,4)50-24-10-12-26-56(50)64(58)54-34-30-46-42-18-8-6-16-40(42)44-20-14-22-48(54)60(44)46/h5-36H,1-4H3
InChIKeyWKMLKUBQXVXEGO-UHFFFAOYSA-N
MW817.05 g/mol
LogP17.17
Rot. Bonds3

About 10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine

10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine (PubChem CID 70936023) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine.

Molecular Properties

Compound Name10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine
PubChem CID70936023
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC Name10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c4c(cccc24)-c2ccccc2-3)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccc4c5c(cccc35)-c3ccccc3-4)cc21
InChIInChI=1S/C62H44N2/c1-61(2)49-23-9-11-25-55(49)63(53-33-29-45-41-17-7-5-15-39(41)43-19-13-21-47(53)59(43)45)57-31-27-37(35-51(57)61)38-28-32-58-52(36-38)62(3,4)50-24-10-12-26-56(50)64(58)54-34-30-46-42-18-8-6-16-40(42)44-20-14-22-48(54)60(44)46/h5-36H,1-4H3
InChIKeyWKMLKUBQXVXEGO-UHFFFAOYSA-N
XLogP17.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8,8,14,14-tetramethyl-5-(2-naphthalen-1-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 70892961
10-[2-[7-[2-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylacridine
CID 130438692
3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole
CID 71291314
10,10,14,14-tetramethyl-21-[5-(10,10,14,14-tetramethyl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-yl)naphthalen-1-yl]-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459631
3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404
5-(9,9-dimethyl-10-phenylacridin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67326458
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine
CID 58489773
9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine
CID 90087290
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene
CID 123260032
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]fluoren-2-amine
CID 58489858

Frequently Asked Questions

What is the IUPAC name of 10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine?
The IUPAC name of 10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine (CID 70936023) is 10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine.
What is the SMILES notation for 10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine?
The canonical SMILES for 10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c4c(cccc24)-c2ccccc2-3)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccc4c5c(cccc35)-c3ccccc3-4)cc21.
What is the InChIKey of 10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine?
The InChIKey is WKMLKUBQXVXEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-61(2)49-23-9-11-25-55(49)63(53-33-29-45-41-17-7-5-15-39(41)43-19-13-21-47(53)59(43)45)57-31-27-37(35-51(57)61)38-28-32-58-52(36-38)62(3,4)50-24-10-12-26-56(50)64(58)54-34-30-46-42-18-8-6-16-40(42)44-20-14-22-48(54)60(44)46/h5-36H,1-4H3.
What are the key properties of 10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine?
10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine has a molecular weight of 817.05 g/mol, XLogP of 17.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine is sourced from PubChem (CID 70936023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).