N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline

C45H36N2 — CID 121258973

IUPACN-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)cc3)ccc21
InChIInChI=1S/C45H36N2/c1-45(2)41-23-12-13-24-43(41)47(38-20-10-5-11-21-38)44-32-36(27-30-42(44)45)34-25-28-39(29-26-34)46(37-18-8-4-9-19-37)40-22-14-17-35(31-40)33-15-6-3-7-16-33/h3-32H,1-2H3
InChIKeyMFQGGSBHIXBWEG-UHFFFAOYSA-N
MW604.80 g/mol
LogP12.60
Rot. Bonds6

About N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline

N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline (PubChem CID 121258973) has the molecular formula C45H36N2 and a molecular weight of 604.80 g/mol. Its IUPAC name is N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
PubChem CID121258973
Molecular FormulaC45H36N2
Molecular Weight604.80 g/mol
Exact Mass604.29
IUPAC NameN-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)cc3)ccc21
InChIInChI=1S/C45H36N2/c1-45(2)41-23-12-13-24-43(41)47(38-20-10-5-11-21-38)44-32-36(27-30-42(44)45)34-25-28-39(29-26-34)46(37-18-8-4-9-19-37)40-22-14-17-35(31-40)33-15-6-3-7-16-33/h3-32H,1-2H3
InChIKeyMFQGGSBHIXBWEG-UHFFFAOYSA-N
XLogP12.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.80
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 121259013
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
7,9,9-trimethyl-N,10-diphenyl-N-(4-phenylphenyl)acridin-2-amine
CID 144559423
3-[3-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 170657015
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
CID 121259178
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121259166
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,10-diphenylacridin-3-amine
CID 121258957
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]fluoren-2-amine
CID 129062191

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline?
The IUPAC name of N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline (CID 121258973) is N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline.
What is the SMILES notation for N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline?
The canonical SMILES for N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline is CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)cc3)ccc21.
What is the InChIKey of N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline?
The InChIKey is MFQGGSBHIXBWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N2/c1-45(2)41-23-12-13-24-43(41)47(38-20-10-5-11-21-38)44-32-36(27-30-42(44)45)34-25-28-39(29-26-34)46(37-18-8-4-9-19-37)40-22-14-17-35(31-40)33-15-6-3-7-16-33/h3-32H,1-2H3.
What are the key properties of N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline?
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline has a molecular weight of 604.80 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline is sourced from PubChem (CID 121258973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).