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

C39H32N2 — CID 121258967

IUPAC4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21
InChIInChI=1S/C39H32N2/c1-39(2)35-20-12-13-21-37(35)41(33-18-10-5-11-19-33)38-28-30(24-27-36(38)39)29-22-25-34(26-23-29)40(31-14-6-3-7-15-31)32-16-8-4-9-17-32/h3-28H,1-2H3
InChIKeyNWJSYIUURSLFAF-UHFFFAOYSA-N
MW528.70 g/mol
LogP10.93
Rot. Bonds5

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

4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline (PubChem CID 121258967) has the molecular formula C39H32N2 and a molecular weight of 528.70 g/mol. Its IUPAC name is 4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
PubChem CID121258967
Molecular FormulaC39H32N2
Molecular Weight528.70 g/mol
Exact Mass528.26
IUPAC Name4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21
InChIInChI=1S/C39H32N2/c1-39(2)35-20-12-13-21-37(35)41(33-18-10-5-11-19-33)38-28-30(24-27-36(38)39)29-22-25-34(26-23-29)40(31-14-6-3-7-15-31)32-16-8-4-9-17-32/h3-28H,1-2H3
InChIKeyNWJSYIUURSLFAF-UHFFFAOYSA-N
XLogP10.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 121259013
N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
CID 121259178
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
CID 146652293
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
7,9,9-trimethyl-N,10-diphenyl-N-(4-phenylphenyl)acridin-2-amine
CID 144559423
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,10-diphenylacridin-3-amine
CID 121258957
4-[4-(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,N-diphenylaniline
CID 170656809
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
4-(9,9-dimethyl-7-phenanthren-3-yl-10-phenylacridin-2-yl)-N,N-diphenylaniline
CID 118122536

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline (CID 121258967) is 4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline is CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21.
What is the InChIKey of 4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline?
The InChIKey is NWJSYIUURSLFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N2/c1-39(2)35-20-12-13-21-37(35)41(33-18-10-5-11-19-33)38-28-30(24-27-36(38)39)29-22-25-34(26-23-29)40(31-14-6-3-7-15-31)32-16-8-4-9-17-32/h3-28H,1-2H3.
What are the key properties of 4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline?
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline has a molecular weight of 528.70 g/mol, XLogP of 10.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline is sourced from PubChem (CID 121258967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).