7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine

C37H30N2 — CID 58489850

IUPAC7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2c1cc(N(c1ccccc1)c1ccccc1)c1ccccc21
InChIInChI=1S/C37H30N2/c1-37(2)32-24-14-15-25-34(32)39(29-20-10-5-11-21-29)36-31-23-13-12-22-30(31)35(26-33(36)37)38(27-16-6-3-7-17-27)28-18-8-4-9-19-28/h3-26H,1-2H3
InChIKeyIKFONUGTDIVVHH-UHFFFAOYSA-N
MW502.66 g/mol
LogP10.42
Rot. Bonds4

About 7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine

7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine (PubChem CID 58489850) has the molecular formula C37H30N2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine.

Molecular Properties

Compound Name7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine
PubChem CID58489850
Molecular FormulaC37H30N2
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC Name7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2c1cc(N(c1ccccc1)c1ccccc1)c1ccccc21
InChIInChI=1S/C37H30N2/c1-37(2)32-24-14-15-25-34(32)39(29-20-10-5-11-21-29)36-31-23-13-12-22-30(31)35(26-33(36)37)38(27-16-6-3-7-17-27)28-18-8-4-9-19-28/h3-26H,1-2H3
InChIKeyIKFONUGTDIVVHH-UHFFFAOYSA-N
XLogP10.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 510.42
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
9-N',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 137416879
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,10-diphenylacridin-3-amine
CID 121258957
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
N,N-diphenyl-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)naphthalen-1-amine
CID 70893267
2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121259166
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[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]aniline
CID 90201353
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[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]aniline
CID 90201363
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
CID 90061389
7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine?
The IUPAC name of 7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine (CID 58489850) is 7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine.
What is the SMILES notation for 7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine?
The canonical SMILES for 7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine is CC1(C)c2ccccc2N(c2ccccc2)c2c1cc(N(c1ccccc1)c1ccccc1)c1ccccc21.
What is the InChIKey of 7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine?
The InChIKey is IKFONUGTDIVVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N2/c1-37(2)32-24-14-15-25-34(32)39(29-20-10-5-11-21-29)36-31-23-13-12-22-30(31)35(26-33(36)37)38(27-16-6-3-7-17-27)28-18-8-4-9-19-28/h3-26H,1-2H3.
What are the key properties of 7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine?
7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine has a molecular weight of 502.66 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N,N,12-triphenylbenzo[c]acridin-5-amine is sourced from PubChem (CID 58489850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).