5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene

C40H44 — CID 144613671

IUPAC5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene
SMILESC/C=C\C1=C(C)C(C)C(C)c2cc(C(C)C(C)c3ccc4c(c3)C(C)(C)c3cc(C)c5ccccc5c3-4)ccc21
InChIInChI=1S/C40H44/c1-10-13-32-27(6)24(3)28(7)36-21-29(16-18-33(32)36)25(4)26(5)30-17-19-35-37(22-30)40(8,9)38-20-23(2)31-14-11-12-15-34(31)39(35)38/h10-22,24-26,28H,1-9H3/b13-10-
InChIKeyNXOIWELEFGCIRS-RAXLEYEMSA-N
MW524.79 g/mol
LogP11.46
Rot. Bonds4

About 5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene

5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene (PubChem CID 144613671) has the molecular formula C40H44 and a molecular weight of 524.79 g/mol. Its IUPAC name is 5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene.

Molecular Properties

Compound Name5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene
PubChem CID144613671
Molecular FormulaC40H44
Molecular Weight524.79 g/mol
Exact Mass524.34
IUPAC Name5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene
SMILESC/C=C\C1=C(C)C(C)C(C)c2cc(C(C)C(C)c3ccc4c(c3)C(C)(C)c3cc(C)c5ccccc5c3-4)ccc21
InChIInChI=1S/C40H44/c1-10-13-32-27(6)24(3)28(7)36-21-29(16-18-33(32)36)25(4)26(5)30-17-19-35-37(22-30)40(8,9)38-20-23(2)31-14-11-12-15-34(31)39(35)38/h10-22,24-26,28H,1-9H3/b13-10-
InChIKeyNXOIWELEFGCIRS-RAXLEYEMSA-N
XLogP11.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.79
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene with MolForge

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Related Compounds

5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
7,7-dimethyl-9-[3-[3-methyl-4-[(2Z,4Z)-5-methylocta-2,4-dien-4-yl]phenyl]butan-2-yl]-5-(7,7,9-trimethylbenzo[c]fluoren-5-yl)benzo[c]fluorene
CID 144613482
2,4-diphenyl-6-(5,7,7-trimethylbenzo[g]fluoren-9-yl)-1,3,5-triazine
CID 169290945
9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene
CID 144613144
2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613484
1,2-diethyl-3-(2-methylphenyl)benzene;1-(2-methylphenyl)-2,3-di(propan-2-yl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene;1,3-xylene
CID 144613457
5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
CID 59412990
1,2-dimethyl-3-prop-1-enyl-1H-indene
CID 123558813
5-[[4-(2,5-dimethylcyclohepta-1,6-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[3-[3-methyl-4-[(3Z,5Z)-3-methylhepta-3,5-dien-1-yn-4-yl]phenyl]butan-2-yl]benzo[c]fluorene;1-methylnaphthalene;propane;1,2-xylene
CID 144614399
9-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12,15-trimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479668
12,12,22,22-tetramethyl-9-N,19-N-bis(2-methylphenyl)-9-N,19-N-bis(4-propan-2-ylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 171449195
9,12,12,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),5,9,14,16,18,20-nonaene-4,7-dione
CID 118066168

Frequently Asked Questions

What is the IUPAC name of 5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene?
The IUPAC name of 5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene (CID 144613671) is 5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene.
What is the SMILES notation for 5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene?
The canonical SMILES for 5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene is C/C=C\C1=C(C)C(C)C(C)c2cc(C(C)C(C)c3ccc4c(c3)C(C)(C)c3cc(C)c5ccccc5c3-4)ccc21.
What is the InChIKey of 5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene?
The InChIKey is NXOIWELEFGCIRS-RAXLEYEMSA-N. The full InChI is InChI=1S/C40H44/c1-10-13-32-27(6)24(3)28(7)36-21-29(16-18-33(32)36)25(4)26(5)30-17-19-35-37(22-30)40(8,9)38-20-23(2)31-14-11-12-15-34(31)39(35)38/h10-22,24-26,28H,1-9H3/b13-10-.
What are the key properties of 5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene?
5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene has a molecular weight of 524.79 g/mol, XLogP of 11.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene is sourced from PubChem (CID 144613671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).