10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine

C45H33N3 — CID 58609318

IUPAC10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C45H33N3/c1-45(2)37-19-7-13-25-43(37)48(44-26-14-8-20-38(44)45)32-28-30(46-39-21-9-3-15-33(39)34-16-4-10-22-40(34)46)27-31(29-32)47-41-23-11-5-17-35(41)36-18-6-12-24-42(36)47/h3-29H,1-2H3
InChIKeyPSMZQUPWGAXXAN-UHFFFAOYSA-N
MW615.78 g/mol
LogP11.99
Rot. Bonds3

About 10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine

10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine (PubChem CID 58609318) has the molecular formula C45H33N3 and a molecular weight of 615.78 g/mol. Its IUPAC name is 10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
PubChem CID58609318
Molecular FormulaC45H33N3
Molecular Weight615.78 g/mol
Exact Mass615.27
IUPAC Name10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C45H33N3/c1-45(2)37-19-7-13-25-43(37)48(44-26-14-8-20-38(44)45)32-28-30(46-39-21-9-3-15-33(39)34-16-4-10-22-40(34)46)27-31(29-32)47-41-23-11-5-17-35(41)36-18-6-12-24-42(36)47/h3-29H,1-2H3
InChIKeyPSMZQUPWGAXXAN-UHFFFAOYSA-N
XLogP11.99
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.78
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile
CID 126496704
3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile
CID 126496772
10-(3,5-dimethylphenyl)-14-[10-[10-(3,5-dimethylphenyl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl]anthracen-9-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459729
10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
CID 168836599
5-carbazol-9-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 67325809
29-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-22,22,33,33-tetramethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 140926861
17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene
CID 134428385
13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 12555402
9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine
CID 159694810

Frequently Asked Questions

What is the IUPAC name of 10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine (CID 58609318) is 10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21.
What is the InChIKey of 10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine?
The InChIKey is PSMZQUPWGAXXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N3/c1-45(2)37-19-7-13-25-43(37)48(44-26-14-8-20-38(44)45)32-28-30(46-39-21-9-3-15-33(39)34-16-4-10-22-40(34)46)27-31(29-32)47-41-23-11-5-17-35(41)36-18-6-12-24-42(36)47/h3-29H,1-2H3.
What are the key properties of 10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine?
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine has a molecular weight of 615.78 g/mol, XLogP of 11.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 58609318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).