9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole

C37H32N2 — CID 134431507

IUPAC9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)C2C=CC(c3ccc4c(c3)NC3=CC=C5C=CC=CC5C34)=CC21
InChIInChI=1S/C37H32N2/c1-37(2)30-14-8-9-15-34(30)39(27-11-4-3-5-12-27)35-21-18-25(22-31(35)37)26-16-19-29-33(23-26)38-32-20-17-24-10-6-7-13-28(24)36(29)32/h3-23,28,31,35-36,38H,1-2H3
InChIKeyWNTJKBDEEXGCQQ-UHFFFAOYSA-N
MW504.68 g/mol
LogP8.83
Rot. Bonds2

About 9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole

9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole (PubChem CID 134431507) has the molecular formula C37H32N2 and a molecular weight of 504.68 g/mol. Its IUPAC name is 9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole.

Molecular Properties

Compound Name9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole
PubChem CID134431507
Molecular FormulaC37H32N2
Molecular Weight504.68 g/mol
Exact Mass504.26
IUPAC Name9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)C2C=CC(c3ccc4c(c3)NC3=CC=C5C=CC=CC5C34)=CC21
InChIInChI=1S/C37H32N2/c1-37(2)30-14-8-9-15-34(30)39(27-11-4-3-5-12-27)35-21-18-25(22-31(35)37)26-16-19-29-33(23-26)38-32-20-17-24-10-6-7-13-28(24)36(29)32/h3-23,28,31,35-36,38H,1-2H3
InChIKeyWNTJKBDEEXGCQQ-UHFFFAOYSA-N
XLogP8.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.68
LogP ≤ 58.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine
CID 130326840
9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine
CID 130326838
2-(8,9,11b,11c-tetrahydro-7H-benzo[c]carbazol-11-yl)-10-phenylphenothiazine
CID 134431733
11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene
CID 143983255
10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine
CID 138646131
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole
CID 118369096
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
2-[2-[3-(9,9-dimethyl-2,7-diphenyl-4a,9a-dihydroacridin-10-yl)phenyl]-5-methyl-6-methylidenephenanthridin-4-yl]benzaldehyde
CID 144602948
3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole
CID 174244045
10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine
CID 170073966
3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
CID 118369059
2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole
CID 145080282

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole?
The IUPAC name of 9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole (CID 134431507) is 9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole.
What is the SMILES notation for 9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole?
The canonical SMILES for 9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole is CC1(C)c2ccccc2N(c2ccccc2)C2C=CC(c3ccc4c(c3)NC3=CC=C5C=CC=CC5C34)=CC21.
What is the InChIKey of 9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole?
The InChIKey is WNTJKBDEEXGCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N2/c1-37(2)30-14-8-9-15-34(30)39(27-11-4-3-5-12-27)35-21-18-25(22-31(35)37)26-16-19-29-33(23-26)38-32-20-17-24-10-6-7-13-28(24)36(29)32/h3-23,28,31,35-36,38H,1-2H3.
What are the key properties of 9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole?
9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole has a molecular weight of 504.68 g/mol, XLogP of 8.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole is sourced from PubChem (CID 134431507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).