10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine

C33H28N2 — CID 170073966

IUPAC10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cccc(N3c4ccccc4[C@@H]4C=CC=CC43)c2)c2ccccc21
InChIInChI=1S/C33H28N2/c1-33(2)27-16-5-9-20-31(27)35(32-21-10-6-17-28(32)33)24-13-11-12-23(22-24)34-29-18-7-3-14-25(29)26-15-4-8-19-30(26)34/h3-22,25,29H,1-2H3/t25-,29?/m0/s1
InChIKeyLPBIJFORYCTNJS-GMMLNUAGSA-N
MW452.60 g/mol
LogP8.53
Rot. Bonds2

About 10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine

10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine (PubChem CID 170073966) has the molecular formula C33H28N2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine
PubChem CID170073966
Molecular FormulaC33H28N2
Molecular Weight452.60 g/mol
Exact Mass452.23
IUPAC Name10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cccc(N3c4ccccc4[C@@H]4C=CC=CC43)c2)c2ccccc21
InChIInChI=1S/C33H28N2/c1-33(2)27-16-5-9-20-31(27)35(32-21-10-6-17-28(32)33)24-13-11-12-23(22-24)34-29-18-7-3-14-25(29)26-15-4-8-19-30(26)34/h3-22,25,29H,1-2H3/t25-,29?/m0/s1
InChIKeyLPBIJFORYCTNJS-GMMLNUAGSA-N
XLogP8.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine with MolForge

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Related Compounds

9-(4-methylphenyl)-4a,9a-dihydrocarbazole
CID 70834076
7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168721277
6-[3-[4-[7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129075493
3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
CID 11027632
CID 11027632
9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole
CID 118490775
9-fluoro-10-[3-(9-fluoro-9-methylacridin-10-yl)phenyl]-9-methylacridine
CID 59399643
14,14-dimethyl-8-phenyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443210
17-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene
CID 142397362
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603

Frequently Asked Questions

What is the IUPAC name of 10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine (CID 170073966) is 10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cccc(N3c4ccccc4[C@@H]4C=CC=CC43)c2)c2ccccc21.
What is the InChIKey of 10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine?
The InChIKey is LPBIJFORYCTNJS-GMMLNUAGSA-N. The full InChI is InChI=1S/C33H28N2/c1-33(2)27-16-5-9-20-31(27)35(32-21-10-6-17-28(32)33)24-13-11-12-23(22-24)34-29-18-7-3-14-25(29)26-15-4-8-19-30(26)34/h3-22,25,29H,1-2H3/t25-,29?/m0/s1.
What are the key properties of 10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine?
10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine has a molecular weight of 452.60 g/mol, XLogP of 8.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 170073966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).