4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene

C23H24 — CID 90901601

IUPAC4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene
SMILESCc1ccc2c3c(cccc13)-c1ccc(C(C)C)cc1C2(C)C
InChIInChI=1S/C23H24/c1-14(2)16-10-11-18-19-8-6-7-17-15(3)9-12-20(22(17)19)23(4,5)21(18)13-16/h6-14H,1-5H3
InChIKeyDRPOMAJNJLSFMO-UHFFFAOYSA-N
MW300.45 g/mol
LogP6.58
Rot. Bonds1

About 4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene

4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene (PubChem CID 90901601) has the molecular formula C23H24 and a molecular weight of 300.45 g/mol. Its IUPAC name is 4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene.

Molecular Properties

Compound Name4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene
PubChem CID90901601
Molecular FormulaC23H24
Molecular Weight300.45 g/mol
Exact Mass300.19
IUPAC Name4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene
SMILESCc1ccc2c3c(cccc13)-c1ccc(C(C)C)cc1C2(C)C
InChIInChI=1S/C23H24/c1-14(2)16-10-11-18-19-8-6-7-17-15(3)9-12-20(22(17)19)23(4,5)21(18)13-16/h6-14H,1-5H3
InChIKeyDRPOMAJNJLSFMO-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9,10,10-tetramethyl-2,6-di(propan-2-yl)anthracene
CID 59611136
3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene
CID 123260032
12,12-dimethyl-9-propan-2-yl-20-oxa-4-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1(19),2,4,6(11),7,9,13(18),14,16-nonaene
CID 164814400
CID 59181861
CID 59181861
9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene
CID 140584073
9,9-dimethyl-1,6-di(propan-2-yl)fluorene
CID 158076847
ethane;3,5,7,7,9-pentamethylbenzo[a]phenalene
CID 90801139
7,7-dimethyl-4-(5-pyren-1-ylnaphthalen-1-yl)benzo[a]phenalene
CID 171045760
7,7-dimethyl-10-propan-2-ylbenzo[c]fluorene
CID 140704515
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine
CID 59308503
9,9,20,20-tetramethyl-6-propan-2-yl-15-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 170363221
2,4-bis(4-phenylphenyl)-6-(4-propan-2-ylphenyl)-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-propan-2-yl-1,3,5-triazine;2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine;4,6-diphenyl-2-(3-propan-2-ylphenyl)pyrimidine;4,6-diphenyl-2-(4-propan-2-ylphenyl)pyrimidine;4,6-diphenyl-2-propan-2-ylpyrimidine
CID 159614229

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene?
The IUPAC name of 4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene (CID 90901601) is 4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene.
What is the SMILES notation for 4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene?
The canonical SMILES for 4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene is Cc1ccc2c3c(cccc13)-c1ccc(C(C)C)cc1C2(C)C.
What is the InChIKey of 4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene?
The InChIKey is DRPOMAJNJLSFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24/c1-14(2)16-10-11-18-19-8-6-7-17-15(3)9-12-20(22(17)19)23(4,5)21(18)13-16/h6-14H,1-5H3.
What are the key properties of 4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene?
4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene has a molecular weight of 300.45 g/mol, XLogP of 6.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene is sourced from PubChem (CID 90901601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).