10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine

C42H36N2 — CID 59399603

IUPAC10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3)cc(N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C42H36N2/c1-41(2)33-18-8-12-22-37(33)43(38-23-13-9-19-34(38)41)31-26-30(29-16-6-5-7-17-29)27-32(28-31)44-39-24-14-10-20-35(39)42(3,4)36-21-11-15-25-40(36)44/h5-28H,1-4H3
InChIKeyDUKDPJXYLMGUJD-UHFFFAOYSA-N
MW568.76 g/mol
LogP11.57
Rot. Bonds3

About 10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine

10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine (PubChem CID 59399603) has the molecular formula C42H36N2 and a molecular weight of 568.76 g/mol. Its IUPAC name is 10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
PubChem CID59399603
Molecular FormulaC42H36N2
Molecular Weight568.76 g/mol
Exact Mass568.29
IUPAC Name10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3)cc(N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C42H36N2/c1-41(2)33-18-8-12-22-37(33)43(38-23-13-9-19-34(38)41)31-26-30(29-16-6-5-7-17-29)27-32(28-31)44-39-24-14-10-20-35(39)42(3,4)36-21-11-15-25-40(36)44/h5-28H,1-4H3
InChIKeyDUKDPJXYLMGUJD-UHFFFAOYSA-N
XLogP11.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.76
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528452
10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine
CID 59399549
10-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine;9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine;9-[4-(3,5-diphenylphenyl)phenyl]carbazole
CID 160816832
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
8,8,14,14-tetramethyl-11-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90330276
10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine
CID 59399664
10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine
CID 59399557
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
CID 130395517

Frequently Asked Questions

What is the IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine (CID 59399603) is 10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cc(-c3ccccc3)cc(N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21.
What is the InChIKey of 10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine?
The InChIKey is DUKDPJXYLMGUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2/c1-41(2)33-18-8-12-22-37(33)43(38-23-13-9-19-34(38)41)31-26-30(29-16-6-5-7-17-29)27-32(28-31)44-39-24-14-10-20-35(39)42(3,4)36-21-11-15-25-40(36)44/h5-28H,1-4H3.
What are the key properties of 10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine?
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine has a molecular weight of 568.76 g/mol, XLogP of 11.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine is sourced from PubChem (CID 59399603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).